4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide

C19H23NO3S — CID 57332572

IUPAC4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)[C@@H](C)C=O)cc1
InChIInChI=1S/C19H23NO3S/c1-15-8-11-18(12-9-15)24(22,23)20-19(16(2)14-21)13-10-17-6-4-3-5-7-17/h3-9,11-12,14,16,19-20H,10,13H2,1-2H3/t16-,19+/m0/s1
InChIKeyPTVGOWZTIYJUOL-QFBILLFUSA-N
MW345.46 g/mol
LogP3.11
Rot. Bonds8

About 4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide

4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide (PubChem CID 57332572) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide
PubChem CID57332572
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)[C@@H](C)C=O)cc1
InChIInChI=1S/C19H23NO3S/c1-15-8-11-18(12-9-15)24(22,23)20-19(16(2)14-21)13-10-17-6-4-3-5-7-17/h3-9,11-12,14,16,19-20H,10,13H2,1-2H3/t16-,19+/m0/s1
InChIKeyPTVGOWZTIYJUOL-QFBILLFUSA-N
XLogP3.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)sulfonylcyclohexanecarboxamide
CID 4879102
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11761229
Tosyl-L-phenylalanyl Chloride
CID 7019169
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1-oxo-3-phenylpropan-2-yl)pentanamide
CID 10432068
N-(1-Formyl-2-phenyl-ethyl)-3-methyl-2-(toluene-4-sulfonylamino)-butyramide
CID 44381726
4-methyl-N-[(2S)-4-oxo-1-phenylbutan-2-yl]benzenesulfonamide
CID 10757857
3-[4-(Ethylsulfamoyl)phenyl]propanamide
CID 2981741
N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide
CID 6636276
4-methyl-N-[(3S)-1-oxoheptan-3-yl]benzenesulfonamide
CID 44574979
4-methyl-N-[(3R)-4-methyl-1-oxopentan-3-yl]benzenesulfonamide
CID 44574980
(2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoate
CID 72199807

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide (CID 57332572) is 4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)[C@@H](C)C=O)cc1.
What is the InChIKey of 4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide?
The InChIKey is PTVGOWZTIYJUOL-QFBILLFUSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-8-11-18(12-9-15)24(22,23)20-19(16(2)14-21)13-10-17-6-4-3-5-7-17/h3-9,11-12,14,16,19-20H,10,13H2,1-2H3/t16-,19+/m0/s1.
What are the key properties of 4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide?
4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]benzenesulfonamide is sourced from PubChem (CID 57332572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).