2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide

C22H18Cl2N2O2S — CID 18901161

IUPAC2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide
SMILESCC(=O)Nc1cccc(SC(C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)c1
InChIInChI=1S/C22H18Cl2N2O2S/c1-14(27)25-17-8-5-9-18(13-17)29-21(15-6-3-2-4-7-15)22(28)26-20-12-16(23)10-11-19(20)24/h2-13,21H,1H3,(H,25,27)(H,26,28)
InChIKeySQOSRENJDKDQRC-UHFFFAOYSA-N
MW445.37 g/mol
LogP6.42
Rot. Bonds6

About 2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide

2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide (PubChem CID 18901161) has the molecular formula C22H18Cl2N2O2S and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide
PubChem CID18901161
Molecular FormulaC22H18Cl2N2O2S
Molecular Weight445.37 g/mol
Exact Mass444.05
IUPAC Name2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide
SMILESCC(=O)Nc1cccc(SC(C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)c1
InChIInChI=1S/C22H18Cl2N2O2S/c1-14(27)25-17-8-5-9-18(13-17)29-21(15-6-3-2-4-7-15)22(28)26-20-12-16(23)10-11-19(20)24/h2-13,21H,1H3,(H,25,27)(H,26,28)
InChIKeySQOSRENJDKDQRC-UHFFFAOYSA-N
XLogP6.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.37
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897213
N-[3-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18903753
N-[3-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902889
N-(2,5-dichlorophenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712860
N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304
4-chloro-3-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902641
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,4-dichlorophenyl)-2-phenylacetamide
CID 18902600
N-[3-[2-(5-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18904038
2,4-dichloro-N-[3-[2-(3-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18902308
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 18902614
(E)-4-[3-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18896916
N-[3-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903168

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide?
The IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide (CID 18901161) is 2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide is CC(=O)Nc1cccc(SC(C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)c1.
What is the InChIKey of 2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide?
The InChIKey is SQOSRENJDKDQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2S/c1-14(27)25-17-8-5-9-18(13-17)29-21(15-6-3-2-4-7-15)22(28)26-20-12-16(23)10-11-19(20)24/h2-13,21H,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide?
2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide has a molecular weight of 445.37 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide is sourced from PubChem (CID 18901161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).