(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide

C11H13ClN2O2S — CID 95318510

IUPAC(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Sc1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O2S/c1-7(10(15)14-11(16)13-2)17-9-5-3-4-8(12)6-9/h3-7H,1-2H3,(H2,13,14,15,16)/t7-/m0/s1
InChIKeyRVTWVFFPDXUWCG-ZETCQYMHSA-N
MW272.76 g/mol
LogP2.28
Rot. Bonds3

About (2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide

(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 95318510) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID95318510
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Sc1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O2S/c1-7(10(15)14-11(16)13-2)17-9-5-3-4-8(12)6-9/h3-7H,1-2H3,(H2,13,14,15,16)/t7-/m0/s1
InChIKeyRVTWVFFPDXUWCG-ZETCQYMHSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
2-(3-formylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 66356400
(2R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7534059
(2R)-2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7483681
(2S)-2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7724136
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(methylcarbamoyl)propanamide
CID 7976615
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79147156
2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 60594345

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 95318510) is (2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)Sc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is RVTWVFFPDXUWCG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-7(10(15)14-11(16)13-2)17-9-5-3-4-8(12)6-9/h3-7H,1-2H3,(H2,13,14,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 272.76 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 95318510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).