N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide

C27H22ClN3O2S — CID 23098794

IUPACN-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(SC(C(=O)Nc2ccc(Cl)cn2)c2ccccc2)cc1
InChIInChI=1S/C27H22ClN3O2S/c28-21-11-16-24(29-18-21)31-27(33)26(20-9-5-2-6-10-20)34-23-14-12-22(13-15-23)30-25(32)17-19-7-3-1-4-8-19/h1-16,18,26H,17H2,(H,30,32)(H,29,31,33)
InChIKeyCDWIKRVQSZDTDP-UHFFFAOYSA-N
MW488.01 g/mol
LogP6.39
Rot. Bonds8

About N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide

N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide (PubChem CID 23098794) has the molecular formula C27H22ClN3O2S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
PubChem CID23098794
Molecular FormulaC27H22ClN3O2S
Molecular Weight488.01 g/mol
Exact Mass487.11
IUPAC NameN-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(SC(C(=O)Nc2ccc(Cl)cn2)c2ccccc2)cc1
InChIInChI=1S/C27H22ClN3O2S/c28-21-11-16-24(29-18-21)31-27(33)26(20-9-5-2-6-10-20)34-23-14-12-22(13-15-23)30-25(32)17-19-7-3-1-4-8-19/h1-16,18,26H,17H2,(H,30,32)(H,29,31,33)
InChIKeyCDWIKRVQSZDTDP-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

2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide
CID 23098793
N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712703
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(3,5-dichlorophenyl)-2-phenylacetamide
CID 21169890
2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride
CID 50899014
N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 21168358
N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906050
N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902594
4-[4-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786389
2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride
CID 50898897
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 23097229
N-[(Z)-3-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-(4-phenylphenyl)prop-1-en-2-yl]benzamide
CID 19714981
N-[(Z)-3-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxo-1-phenylethyl]sulfanylanilino]-1-(2,4-dichlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19713841

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide (CID 23098794) is N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide is O=C(Cc1ccccc1)Nc1ccc(SC(C(=O)Nc2ccc(Cl)cn2)c2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The InChIKey is CDWIKRVQSZDTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O2S/c28-21-11-16-24(29-18-21)31-27(33)26(20-9-5-2-6-10-20)34-23-14-12-22(13-15-23)30-25(32)17-19-7-3-1-4-8-19/h1-16,18,26H,17H2,(H,30,32)(H,29,31,33).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide 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 N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 23098794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).