N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide

C28H23ClN2O2S — CID 18906050

IUPACN-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(SC(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)c1
InChIInChI=1S/C28H23ClN2O2S/c29-22-14-16-23(17-15-22)31-28(33)27(21-10-5-2-6-11-21)34-25-13-7-12-24(19-25)30-26(32)18-20-8-3-1-4-9-20/h1-17,19,27H,18H2,(H,30,32)(H,31,33)
InChIKeyZAGMSGPSNJCGNI-UHFFFAOYSA-N
MW487.02 g/mol
LogP6.99
Rot. Bonds8

About N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide

N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide (PubChem CID 18906050) has the molecular formula C28H23ClN2O2S and a molecular weight of 487.02 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
PubChem CID18906050
Molecular FormulaC28H23ClN2O2S
Molecular Weight487.02 g/mol
Exact Mass486.12
IUPAC NameN-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(SC(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)c1
InChIInChI=1S/C28H23ClN2O2S/c29-22-14-16-23(17-15-22)31-28(33)27(21-10-5-2-6-11-21)34-25-13-7-12-24(19-25)30-26(32)18-20-8-3-1-4-9-20/h1-17,19,27H,18H2,(H,30,32)(H,31,33)
InChIKeyZAGMSGPSNJCGNI-UHFFFAOYSA-N
XLogP6.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.02
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902594
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
N-(4-chlorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905978
4-chloro-3-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902641
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
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-[3-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901729

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide (CID 18906050) is N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide is O=C(Cc1ccccc1)Nc1cccc(SC(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The InChIKey is ZAGMSGPSNJCGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O2S/c29-22-14-16-23(17-15-22)31-28(33)27(21-10-5-2-6-11-21)34-25-13-7-12-24(19-25)30-26(32)18-20-8-3-1-4-9-20/h1-17,19,27H,18H2,(H,30,32)(H,31,33).
What are the key properties of N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide has a molecular weight of 487.02 g/mol, XLogP of 6.99, 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-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 18906050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).