(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide

C18H20ClNO3S — CID 51946927

IUPAC(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-14(18(21)20(2)12-15-8-4-3-5-9-15)24(22,23)13-16-10-6-7-11-17(16)19/h3-11,14H,12-13H2,1-2H3/t14-/m0/s1
InChIKeyPWCRRIHVRSQETQ-AWEZNQCLSA-N
MW365.88 g/mol
LogP3.30
Rot. Bonds6

About (2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide

(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide (PubChem CID 51946927) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
PubChem CID51946927
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-14(18(21)20(2)12-15-8-4-3-5-9-15)24(22,23)13-16-10-6-7-11-17(16)19/h3-11,14H,12-13H2,1-2H3/t14-/m0/s1
InChIKeyPWCRRIHVRSQETQ-AWEZNQCLSA-N
XLogP3.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide
CID 42961408
N-benzyl-2-[(2-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300498
(2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide
CID 51962041
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide
CID 86923050
N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide
CID 112768933
N-benzyl-2-methyl-N-methylsulfonylpropanamide
CID 124927817
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide
CID 51954078
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 7170411
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
2-[(2-chlorophenyl)methyl-methylsulfonylamino]propanoic acid
CID 23645754

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
The IUPAC name of (2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide (CID 51946927) is (2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
The canonical SMILES for (2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide is C[C@@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of (2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
The InChIKey is PWCRRIHVRSQETQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-14(18(21)20(2)12-15-8-4-3-5-9-15)24(22,23)13-16-10-6-7-11-17(16)19/h3-11,14H,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide has a molecular weight of 365.88 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide is sourced from PubChem (CID 51946927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).