2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide

C27H22ClN3O2S — CID 23098793

IUPAC2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SC(C(=O)Nc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C27H22ClN3O2S/c28-21-11-9-19(10-12-21)18-25(32)30-22-13-15-23(16-14-22)34-26(20-6-2-1-3-7-20)27(33)31-24-8-4-5-17-29-24/h1-17,26H,18H2,(H,30,32)(H,29,31,33)
InChIKeyOQCCDYDVEDMDHW-UHFFFAOYSA-N
MW488.01 g/mol
LogP6.39
Rot. Bonds8

About 2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide

2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide (PubChem CID 23098793) has the molecular formula C27H22ClN3O2S and a molecular weight of 488.01 g/mol. Its IUPAC name is 2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide
PubChem CID23098793
Molecular FormulaC27H22ClN3O2S
Molecular Weight488.01 g/mol
Exact Mass487.11
IUPAC Name2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SC(C(=O)Nc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C27H22ClN3O2S/c28-21-11-9-19(10-12-21)18-25(32)30-22-13-15-23(16-14-22)34-26(20-6-2-1-3-7-20)27(33)31-24-8-4-5-17-29-24/h1-17,26H,18H2,(H,30,32)(H,29,31,33)
InChIKeyOQCCDYDVEDMDHW-UHFFFAOYSA-N
XLogP6.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.01
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 23098794
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(3,5-dichlorophenyl)-2-phenylacetamide
CID 21169890
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
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-[4-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786389
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylacetamide
CID 21171403
4-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902642
N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 21168358
N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22781894
N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712703
N-[4-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 22782891

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide (CID 23098793) is 2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(SC(C(=O)Nc2ccccn2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide?
The InChIKey is OQCCDYDVEDMDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O2S/c28-21-11-9-19(10-12-21)18-25(32)30-22-13-15-23(16-14-22)34-26(20-6-2-1-3-7-20)27(33)31-24-8-4-5-17-29-24/h1-17,26H,18H2,(H,30,32)(H,29,31,33).
What are the key properties of 2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide?
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide has a molecular weight of 488.01 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 23098793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).