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Chemical ID: 7363337

c1ccc(cc1)C(=O)Nc2ccc(cc2)OCC(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCC4

Chemical ID:

7363337

Name [?]:

N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoylmethoxy]phenyl]benzamide

SMILES [?]:

c1ccc(cc1)C(=O)Nc2ccc(cc2)OCC(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCC4

InChi [?]:

InChI=1/C25H25N3O5S/c29-24(26-20-10-14-23(15-11-20)34(31,32)28-16-4-5-17-28)18-33-22-12-8-21(9-13-22)27-25(30)19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-18H2,(H,26,29)(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,2,6,32,33,3,5,11,15,22,26,12,14,23,25,31,34,17,4,21,10,13,24,18,7,20,9,30,19,8,28,29,16,27/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(31,32)/CRV:34.6/rA:34nCCCCCCCONCCCCCCOCCONCCCCCCSOONCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;d27;d27;s27;s30;s31;s32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅N₃O₅S
All Atoms:	59
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0047
Area:	730.106
Solvation:	-6.24791
Coulombic:	-56.8498

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	479.549
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.24
LogP (Chemaxon):	3.38

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value