4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide

C17H17ClN2O2S — CID 26679666

IUPAC4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCSc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-19-17(22)12-6-8-13(9-7-12)20-16(21)10-11-23-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyBJJPBEYYAZPFBL-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.82
Rot. Bonds6

About 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide

4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide (PubChem CID 26679666) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
PubChem CID26679666
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCSc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-19-17(22)12-6-8-13(9-7-12)20-16(21)10-11-23-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyBJJPBEYYAZPFBL-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 26665399
N-[4-[3-(2-chlorophenyl)sulfanylpropanoylamino]phenyl]-3-methylbutanamide
CID 33026059
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
methyl 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 26240686
3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331343
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 35575333
N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 36823003
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42963433
3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 51891452
N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide?
The IUPAC name of 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide (CID 26679666) is 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CCSc2ccccc2Cl)cc1.
What is the InChIKey of 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide?
The InChIKey is BJJPBEYYAZPFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-19-17(22)12-6-8-13(9-7-12)20-16(21)10-11-23-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide?
4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide has a molecular weight of 348.86 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide is sourced from PubChem (CID 26679666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).