(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide

C17H20N2O3S — CID 700385

IUPAC(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S/c1-14(17(20)18-13-15-9-5-3-6-10-15)19(23(2,21)22)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyNBYKFFUTWLOKLM-AWEZNQCLSA-N
MW332.43 g/mol
LogP2.16
Rot. Bonds6

About (2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide

(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide (PubChem CID 700385) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
PubChem CID700385
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S/c1-14(17(20)18-13-15-9-5-3-6-10-15)19(23(2,21)22)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyNBYKFFUTWLOKLM-AWEZNQCLSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 2915171
2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
(2R)-2-(N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015338
2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132666802
(2S)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 97267616
N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 133202321
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 1079324
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide
CID 133162015
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 2979813

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide (CID 700385) is (2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide is C[C@@H](C(=O)NCc1ccccc1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is NBYKFFUTWLOKLM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14(17(20)18-13-15-9-5-3-6-10-15)19(23(2,21)22)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide?
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 332.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 700385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).