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Chemical ID: 5412631

Cc1ccc(cc1NC(=O)c2ccccc2)NC(=O)CSc3ccc(cc3)Cl

Chemical ID:

5412631

Name [?]:

N-[5-[2-(4-chlorophenyl)sulfanylacetyl]amino-2-methyl-phenyl]benzamide

SMILES [?]:

Cc1ccc(cc1NC(=O)c2ccccc2)NC(=O)CSc3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H19ClN2O2S/c1-15-7-10-18(13-20(15)25-22(27)16-5-3-2-4-6-16)24-21(26)14-28-19-11-8-17(23)9-12-19/h2-13H,14H2,1H3,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,14,13,15,12,16,3,24,26,4,23,27,6,20,2,11,25,5,22,7,18,9,28,17,8,19,10,21/E:(3,4)(5,6)(8,9)(11,12)/rA:28nCCCCCCCNCOCCCCCCNCOCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s5;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉ClN₂O₂S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5094
Area:	648.809
Solvation:	-3.7108
Coulombic:	-44.254

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	410.917
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	5.06
LogP (Chemaxon):	4.85

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value