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

C32H25ClN2O2S — CID 18902620

IUPAC2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(SC(C(=O)Nc2ccc3ccccc3c2)c2ccccc2)c1
InChIInChI=1S/C32H25ClN2O2S/c33-26-16-13-22(14-17-26)19-30(36)34-27-11-6-12-29(21-27)38-31(24-8-2-1-3-9-24)32(37)35-28-18-15-23-7-4-5-10-25(23)20-28/h1-18,20-21,31H,19H2,(H,34,36)(H,35,37)
InChIKeyFTVKEXDLKGKAAP-UHFFFAOYSA-N
MW537.08 g/mol
LogP8.15
Rot. Bonds8

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

2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide (PubChem CID 18902620) has the molecular formula C32H25ClN2O2S and a molecular weight of 537.08 g/mol. Its IUPAC name is 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide.

Molecular Properties

Compound Name2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
PubChem CID18902620
Molecular FormulaC32H25ClN2O2S
Molecular Weight537.08 g/mol
Exact Mass536.13
IUPAC Name2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(SC(C(=O)Nc2ccc3ccccc3c2)c2ccccc2)c1
InChIInChI=1S/C32H25ClN2O2S/c33-26-16-13-22(14-17-26)19-30(36)34-27-11-6-12-29(21-27)38-31(24-8-2-1-3-9-24)32(37)35-28-18-15-23-7-4-5-10-25(23)20-28/h1-18,20-21,31H,19H2,(H,34,36)(H,35,37)
InChIKeyFTVKEXDLKGKAAP-UHFFFAOYSA-N
XLogP8.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.08
LogP ≤ 58.15
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
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-(2,4-dichlorophenyl)-2-phenylacetamide
CID 18902600
4-chloro-3-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902641
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(3,5-dichlorophenyl)-2-phenylacetamide
CID 21169890
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-naphthalen-2-yl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906004
(E)-4-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18896944
N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908363
2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18906044

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide?
The IUPAC name of 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide (CID 18902620) is 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide.
What is the SMILES notation for 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide?
The canonical SMILES for 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(SC(C(=O)Nc2ccc3ccccc3c2)c2ccccc2)c1.
What is the InChIKey of 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide?
The InChIKey is FTVKEXDLKGKAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN2O2S/c33-26-16-13-22(14-17-26)19-30(36)34-27-11-6-12-29(21-27)38-31(24-8-2-1-3-9-24)32(37)35-28-18-15-23-7-4-5-10-25(23)20-28/h1-18,20-21,31H,19H2,(H,34,36)(H,35,37).
What are the key properties of 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide?
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide has a molecular weight of 537.08 g/mol, XLogP of 8.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide is sourced from PubChem (CID 18902620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).