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

C17H17ClN2O2S — CID 134037507

IUPAC3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)Sc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O2S/c1-11(23-15-9-4-3-8-14(15)18)16(21)20-13-7-5-6-12(10-13)17(22)19-2/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyGCUZSEBVXAFFHC-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.82
Rot. Bonds5

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

3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide (PubChem CID 134037507) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
PubChem CID134037507
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)Sc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O2S/c1-11(23-15-9-4-3-8-14(15)18)16(21)20-13-7-5-6-12(10-13)17(22)19-2/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyGCUZSEBVXAFFHC-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627
2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 55417451
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
CID 51319428
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7466965
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616316
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7870527
(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315
(2R)-2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7950434

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide?
The IUPAC name of 3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide (CID 134037507) is 3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide?
The canonical SMILES for 3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)C(C)Sc2ccccc2Cl)c1.
What is the InChIKey of 3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide?
The InChIKey is GCUZSEBVXAFFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-11(23-15-9-4-3-8-14(15)18)16(21)20-13-7-5-6-12(10-13)17(22)19-2/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide?
3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide has a molecular weight of 348.86 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide is sourced from PubChem (CID 134037507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).