(2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide

C15H22ClNO3S — CID 95335623

IUPAC(2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide
SMILESCC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)S(C)(=O)=O
InChIInChI=1S/C15H22ClNO3S/c1-10(2)14(12-8-6-7-9-13(12)16)17(4)15(18)11(3)21(5,19)20/h6-11,14H,1-5H3/t11-,14-/m0/s1
InChIKeyWAKWQIVGHNAJAY-FZMZJTMJSA-N
MW331.87 g/mol
LogP2.93
Rot. Bonds5

About (2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide

(2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide (PubChem CID 95335623) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide
PubChem CID95335623
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name(2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide
SMILESCC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)S(C)(=O)=O
InChIInChI=1S/C15H22ClNO3S/c1-10(2)14(12-8-6-7-9-13(12)16)17(4)15(18)11(3)21(5,19)20/h6-11,14H,1-5H3/t11-,14-/m0/s1
InChIKeyWAKWQIVGHNAJAY-FZMZJTMJSA-N
XLogP2.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide
CID 95335621
(2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide
CID 124682219
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one
CID 114963310
2-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide
CID 96528879
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
CID 164633077
2-carbamothioyl-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 62986265
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide
CID 95503016
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
CID 63681334

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide (CID 95335623) is (2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide is CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)S(C)(=O)=O.
What is the InChIKey of (2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide?
The InChIKey is WAKWQIVGHNAJAY-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-10(2)14(12-8-6-7-9-13(12)16)17(4)15(18)11(3)21(5,19)20/h6-11,14H,1-5H3/t11-,14-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide?
(2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide has a molecular weight of 331.87 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 95335623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).