(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide

C16H24N2O3S — CID 95118270

IUPAC(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(N([C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O3S/c1-12-7-6-10-15(11-12)18(22(3,20)21)13(2)16(19)17-14-8-4-5-9-14/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyLJBXAGLVJVLQQB-ZDUSSCGKSA-N
MW324.45 g/mol
LogP2.21
Rot. Bonds5

About (2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide

(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 95118270) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
PubChem CID95118270
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(N([C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O3S/c1-12-7-6-10-15(11-12)18(22(3,20)21)13(2)16(19)17-14-8-4-5-9-14/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyLJBXAGLVJVLQQB-ZDUSSCGKSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397
(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2236603
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132654304
N-cyclopentyl-2-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132617528
2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132668954
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide (CID 95118270) is (2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide is Cc1cccc(N([C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is LJBXAGLVJVLQQB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-7-6-10-15(11-12)18(22(3,20)21)13(2)16(19)17-14-8-4-5-9-14/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide?
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 324.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 95118270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).