(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide

C13H20N2O3S — CID 110287123

IUPAC(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@@H](NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-4-15(5-2)13(16)12(14-19(3,17)18)11-9-7-6-8-10-11/h6-10,12,14H,4-5H2,1-3H3/t12-/m0/s1
InChIKeyQCWNMJWWLCJLBQ-LBPRGKRZSA-N
MW284.38 g/mol
LogP1.15
Rot. Bonds6

About (2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide

(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide (PubChem CID 110287123) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide
PubChem CID110287123
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@@H](NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-4-15(5-2)13(16)12(14-19(3,17)18)11-9-7-6-8-10-11/h6-10,12,14H,4-5H2,1-3H3/t12-/m0/s1
InChIKeyQCWNMJWWLCJLBQ-LBPRGKRZSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N,N-diethyl-2-phenylacetamide
CID 11118885
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 110287067
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide
CID 110287066
2-cyclopropyl-N-[2-(diethylamino)-2-oxo-1-phenylethyl]propanamide
CID 110626255
(2S)-N,N-diethyl-2-phenyl-2-(phenylcarbamoylamino)acetamide
CID 110287102
ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate
CID 110287113
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
(2S)-N,N-diethyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 110287094
methyl (Z)-4-iodo-3-[methanesulfonamido(phenyl)methyl]but-3-enoate
CID 102251807
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide?
The IUPAC name of (2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide (CID 110287123) is (2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide?
The canonical SMILES for (2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide is CCN(CC)C(=O)[C@@H](NS(C)(=O)=O)c1ccccc1.
What is the InChIKey of (2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide?
The InChIKey is QCWNMJWWLCJLBQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-15(5-2)13(16)12(14-19(3,17)18)11-9-7-6-8-10-11/h6-10,12,14H,4-5H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide?
(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide has a molecular weight of 284.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide is sourced from PubChem (CID 110287123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).