(2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide

C19H24N2O4S — CID 23257276

IUPAC(2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(O)c2ccccc2)C(=O)N(C)C)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-9-11-16(12-10-14)26(24,25)20-17(19(23)21(2)3)13-18(22)15-7-5-4-6-8-15/h4-12,17-18,20,22H,13H2,1-3H3/t17-,18?/m0/s1
InChIKeyVOBAVOOCLMSZJO-ZENAZSQFSA-N
MW376.48 g/mol
LogP1.85
Rot. Bonds7

About (2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide

(2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide (PubChem CID 23257276) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide
PubChem CID23257276
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(O)c2ccccc2)C(=O)N(C)C)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-9-11-16(12-10-14)26(24,25)20-17(19(23)21(2)3)13-18(22)15-7-5-4-6-8-15/h4-12,17-18,20,22H,13H2,1-3H3/t17-,18?/m0/s1
InChIKeyVOBAVOOCLMSZJO-ZENAZSQFSA-N
XLogP1.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N,N-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 11013907
(2S,3R)-2-hydroxy-N,N-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 15364003
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794
3-[4-[4-[(2S)-3-(dimethylamino)-2-[(4-methylphenyl)sulfonylamino]-3-oxopropyl]phenoxy]phenyl]propanoic acid
CID 58792135
(2S)-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 102414995
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 60559293
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide?
The IUPAC name of (2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide (CID 23257276) is (2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide.
What is the SMILES notation for (2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide?
The canonical SMILES for (2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide is Cc1ccc(S(=O)(=O)N[C@@H](CC(O)c2ccccc2)C(=O)N(C)C)cc1.
What is the InChIKey of (2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide?
The InChIKey is VOBAVOOCLMSZJO-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-9-11-16(12-10-14)26(24,25)20-17(19(23)21(2)3)13-18(22)15-7-5-4-6-8-15/h4-12,17-18,20,22H,13H2,1-3H3/t17-,18?/m0/s1.
What are the key properties of (2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide?
(2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide has a molecular weight of 376.48 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide is sourced from PubChem (CID 23257276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).