2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide

C22H17Cl2NO2S — CID 22779193

IUPAC2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SCC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H17Cl2NO2S/c23-16-7-5-15(6-8-16)13-22(27)25-17-9-11-18(12-10-17)28-14-21(26)19-3-1-2-4-20(19)24/h1-12H,13-14H2,(H,25,27)
InChIKeyBLJCPVUFTDSSOG-UHFFFAOYSA-N
MW430.36 g/mol
LogP6.15
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide

2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 22779193) has the molecular formula C22H17Cl2NO2S and a molecular weight of 430.36 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID22779193
Molecular FormulaC22H17Cl2NO2S
Molecular Weight430.36 g/mol
Exact Mass429.04
IUPAC Name2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SCC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H17Cl2NO2S/c23-16-7-5-15(6-8-16)13-22(27)25-17-9-11-18(12-10-17)28-14-21(26)19-3-1-2-4-20(19)24/h1-12H,13-14H2,(H,25,27)
InChIKeyBLJCPVUFTDSSOG-UHFFFAOYSA-N
XLogP6.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.36
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22776204
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22779195
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19629990
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 1026425
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 18902448
2-(4-chlorophenyl)-N-[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]acetamide
CID 23099331

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide (CID 22779193) is 2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(SCC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is BLJCPVUFTDSSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO2S/c23-16-7-5-15(6-8-16)13-22(27)25-17-9-11-18(12-10-17)28-14-21(26)19-3-1-2-4-20(19)24/h1-12H,13-14H2,(H,25,27).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 430.36 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 22779193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).