(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide

C14H22N2O3S — CID 94210718

IUPAC(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-5-10(2)14(17)15-11(3)12-8-6-7-9-13(12)16-20(4,18)19/h6-11,16H,5H2,1-4H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyDYHNHVJVAQHHBJ-GHMZBOCLSA-N
MW298.41 g/mol
LogP2.28
Rot. Bonds6

About (2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide

(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide (PubChem CID 94210718) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
PubChem CID94210718
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-5-10(2)14(17)15-11(3)12-8-6-7-9-13(12)16-20(4,18)19/h6-11,16H,5H2,1-4H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyDYHNHVJVAQHHBJ-GHMZBOCLSA-N
XLogP2.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide
CID 94062624
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 55934358
2-cyclopentyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide
CID 131960912
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55934103
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide
CID 56553112
(2R)-2-[2-(methanesulfonamido)phenyl]propanamide
CID 66860798
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-propoxybenzamide
CID 55933853
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
CID 96528827
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507938
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55933849
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55933470

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide (CID 94210718) is (2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide is CC[C@@H](C)C(=O)N[C@H](C)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of (2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide?
The InChIKey is DYHNHVJVAQHHBJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-10(2)14(17)15-11(3)12-8-6-7-9-13(12)16-20(4,18)19/h6-11,16H,5H2,1-4H3,(H,15,17)/t10-,11-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide?
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide has a molecular weight of 298.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide is sourced from PubChem (CID 94210718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).