N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide

C28H22Cl2N2O2S — CID 18902594

IUPACN-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(SC(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)c1
InChIInChI=1S/C28H22Cl2N2O2S/c29-21-11-9-19(10-12-21)17-26(33)31-24-7-4-8-25(18-24)35-27(20-5-2-1-3-6-20)28(34)32-23-15-13-22(30)14-16-23/h1-16,18,27H,17H2,(H,31,33)(H,32,34)
InChIKeyJWTCFXISHNVKHZ-UHFFFAOYSA-N
MW521.47 g/mol
LogP7.65
Rot. Bonds8

About N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide

N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide (PubChem CID 18902594) has the molecular formula C28H22Cl2N2O2S and a molecular weight of 521.47 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
PubChem CID18902594
Molecular FormulaC28H22Cl2N2O2S
Molecular Weight521.47 g/mol
Exact Mass520.08
IUPAC NameN-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(SC(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)c1
InChIInChI=1S/C28H22Cl2N2O2S/c29-21-11-9-19(10-12-21)17-26(33)31-24-7-4-8-25(18-24)35-27(20-5-2-1-3-6-20)28(34)32-23-15-13-22(30)14-16-23/h1-16,18,27H,17H2,(H,31,33)(H,32,34)
InChIKeyJWTCFXISHNVKHZ-UHFFFAOYSA-N
XLogP7.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906050
4-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902642
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 18902620
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,4-dichlorophenyl)-2-phenylacetamide
CID 18902600
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(3,5-dichlorophenyl)-2-phenylacetamide
CID 21169890
4-chloro-3-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902641
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 18902614
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902615
N-(4-chlorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905978
2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18906044
N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906081
N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide
CID 18902430

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide (CID 18902594) is N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(SC(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide?
The InChIKey is JWTCFXISHNVKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N2O2S/c29-21-11-9-19(10-12-21)17-26(33)31-24-7-4-8-25(18-24)35-27(20-5-2-1-3-6-20)28(34)32-23-15-13-22(30)14-16-23/h1-16,18,27H,17H2,(H,31,33)(H,32,34).
What are the key properties of N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide?
N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide has a molecular weight of 521.47 g/mol, XLogP of 7.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 18902594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).