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Chemical ID: 7367551

c1ccc(cc1)S(=O)(=O)N(CCc2c[nH]c3c2cccc3)CC(=O)NC4CCCc5c4cccc5

Chemical ID:

7367551

Name [?]:

2-[2-(1H-indol-3-yl)ethyl-phenylsulfonyl-amino]-N-tetralin-1-yl-acetamide

SMILES [?]:

c1ccc(cc1)S(=O)(=O)N(CCc2c[nH]c3c2cccc3)CC(=O)NC4CCCc5c4cccc5

InChi [?]:

InChI=1/C28H29N3O3S/c32-28(30-27-16-8-10-21-9-4-5-13-24(21)27)20-31(35(33,34)23-11-2-1-3-12-23)18-17-22-19-29-26-15-7-6-14-25(22)26/h1-7,9,11-15,19,27,29H,8,10,16-18,20H2,(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,2,6,34,33,19,20,28,35,29,3,5,32,18,21,27,12,11,14,22,30,13,4,31,17,16,26,23,15,25,10,24,8,9,7/E:(2,3)(11,12)(33,34)/CRV:35.6/rA:35cCCCCCCSOONCCCCNCCCCCCCCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;d13;s14;s15;s13s16;d17;s18;d19;d16s20;s10;s22;d23;s23;s25;s26;s27;s28;s29;s26s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₉N₃O₃S
All Atoms:	64
Heavy Atoms:	35
Chiral Atoms:	2

ZAP Information [?]

Total:	13.7019
Area:	698.143
Solvation:	-3.75165
Coulombic:	-42.8266

Bond Count [?]

All:	39
Single:	26
Double:	13
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	487.614
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.81
LogP (Chemaxon):	5.15

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