(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C16H23NO4S — CID 97061654

IUPAC(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)S(C)(=O)=O
InChIInChI=1S/C16H23NO4S/c1-13(22(2,19)20)16(18)17(12-15-9-6-10-21-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyAWXJYQBGJHICOE-ZFWWWQNUSA-N
MW325.43 g/mol
LogP1.63
Rot. Bonds6

About (2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 97061654) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is (2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID97061654
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)S(C)(=O)=O
InChIInChI=1S/C16H23NO4S/c1-13(22(2,19)20)16(18)17(12-15-9-6-10-21-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyAWXJYQBGJHICOE-ZFWWWQNUSA-N
XLogP1.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48846486
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
CID 19118860
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149620
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
4-[3-[benzyl(oxolan-2-ylmethyl)amino]-3-oxopropyl]benzoic acid
CID 119182305
N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582885
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 9153527

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 97061654) is (2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is C[C@@H](C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is AWXJYQBGJHICOE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-13(22(2,19)20)16(18)17(12-15-9-6-10-21-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 325.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 97061654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).