2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide

C17H16Cl2N2O2S — CID 18900946

IUPAC2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
SMILESCC(=O)Nc1cccc(SC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-10(17(23)21-13-6-7-15(18)16(19)9-13)24-14-5-3-4-12(8-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyQWCQJGMLYZJLKS-UHFFFAOYSA-N
MW383.30 g/mol
LogP5.07
Rot. Bonds5

About 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide

2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide (PubChem CID 18900946) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
PubChem CID18900946
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
SMILESCC(=O)Nc1cccc(SC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-10(17(23)21-13-6-7-15(18)16(19)9-13)24-14-5-3-4-12(8-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyQWCQJGMLYZJLKS-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.30
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide
CID 18901090
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
N-[3-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide
CID 18905266
N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide
CID 18902430
N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide
CID 17460927
2-(3-acetamidophenyl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 18898990
4-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18897042
N-[3-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 18906989
N-(3-chloro-4-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316550
5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 19630335
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3-chloro-4-fluorophenyl)propanamide
CID 19317124
5-[2-(3-aminophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 18894218

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide (CID 18900946) is 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide is CC(=O)Nc1cccc(SC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is QWCQJGMLYZJLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-10(17(23)21-13-6-7-15(18)16(19)9-13)24-14-5-3-4-12(8-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide?
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 383.30 g/mol, XLogP of 5.07, 5 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-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 18900946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).