2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide

C18H21NO3S — CID 101115397

IUPAC2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](C=O)Cc2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO3S/c1-13-9-14(2)18(15(3)10-13)23(21,22)19-17(12-20)11-16-7-5-4-6-8-16/h4-10,12,17,19H,11H2,1-3H3/t17-/m0/s1
InChIKeyIGXILXRFAUZWCW-KRWDZBQOSA-N
MW331.44 g/mol
LogP2.70
Rot. Bonds6

About 2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 101115397) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
PubChem CID101115397
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](C=O)Cc2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO3S/c1-13-9-14(2)18(15(3)10-13)23(21,22)19-17(12-20)11-16-7-5-4-6-8-16/h4-10,12,17,19H,11H2,1-3H3/t17-/m0/s1
InChIKeyIGXILXRFAUZWCW-KRWDZBQOSA-N
XLogP2.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.70
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

2,4,6-trimethyl-N-[(2S)-1-phenylpenta-3,4-dien-2-yl]benzenesulfonamide
CID 11302281
tert-butyl (E,2S,5S)-6-phenyl-2-propan-2-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]hex-3-enoate
CID 10791085
2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide
CID 102155530
2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322238
(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
(2S)-3-phenyl-N-prop-2-enyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646026
(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646025
(2R)-N,N-diethyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 30142897
(2R)-3-(benzylamino)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 45270951
N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890199
(2S)-N-(4-acetamidophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537725
(2R)-N-[(2S)-butan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646021

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide (CID 101115397) is 2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@H](C=O)Cc2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is IGXILXRFAUZWCW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-9-14(2)18(15(3)10-13)23(21,22)19-17(12-20)11-16-7-5-4-6-8-16/h4-10,12,17,19H,11H2,1-3H3/t17-/m0/s1.
What are the key properties of 2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 101115397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).