3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide

C13H17ClN2O4S — CID 119051620

IUPAC3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide
SMILESCc1cccc(CC(=O)NCCC(=O)NS(C)(=O)=O)c1Cl
InChIInChI=1S/C13H17ClN2O4S/c1-9-4-3-5-10(13(9)14)8-12(18)15-7-6-11(17)16-21(2,19)20/h3-5H,6-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyILQFQRYUEJVSME-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.77
Rot. Bonds6

About 3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide

3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide (PubChem CID 119051620) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide
PubChem CID119051620
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide
SMILESCc1cccc(CC(=O)NCCC(=O)NS(C)(=O)=O)c1Cl
InChIInChI=1S/C13H17ClN2O4S/c1-9-4-3-5-10(13(9)14)8-12(18)15-7-6-11(17)16-21(2,19)20/h3-5H,6-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyILQFQRYUEJVSME-UHFFFAOYSA-N
XLogP0.77
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67126230
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3-[[(2S)-2-methylsulfanyl-2-phenylacetyl]amino]-N-methylsulfonylpropanamide
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N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
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2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide
CID 60550431
2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide
CID 113064894
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide?
The IUPAC name of 3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide (CID 119051620) is 3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide?
The canonical SMILES for 3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide is Cc1cccc(CC(=O)NCCC(=O)NS(C)(=O)=O)c1Cl.
What is the InChIKey of 3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide?
The InChIKey is ILQFQRYUEJVSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-9-4-3-5-10(13(9)14)8-12(18)15-7-6-11(17)16-21(2,19)20/h3-5H,6-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide?
3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide has a molecular weight of 332.81 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide is sourced from PubChem (CID 119051620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).