4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide

C20H21NO2S2 — CID 93004561

IUPAC4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)Cc2cccs2)cc1
InChIInChI=1S/C20H21NO2S2/c1-16-9-11-20(12-10-16)25(22,23)21-18(15-19-8-5-13-24-19)14-17-6-3-2-4-7-17/h2-13,18,21H,14-15H2,1H3/t18-/m0/s1
InChIKeyMNLBNGRLYSVNDD-SFHVURJKSA-N
MW371.53 g/mol
LogP4.19
Rot. Bonds7

About 4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide

4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 93004561) has the molecular formula C20H21NO2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide
PubChem CID93004561
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC Name4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)Cc2cccs2)cc1
InChIInChI=1S/C20H21NO2S2/c1-16-9-11-20(12-10-16)25(22,23)21-18(15-19-8-5-13-24-19)14-17-6-3-2-4-7-17/h2-13,18,21H,14-15H2,1H3/t18-/m0/s1
InChIKeyMNLBNGRLYSVNDD-SFHVURJKSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 165342128
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide
CID 50993309
[(2R)-1,1-dideuterio-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate
CID 131668400
4-methyl-N-[(2R,4S)-4-methyl-5-oxo-1-phenylheptan-2-yl]benzenesulfonamide
CID 10809381
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 12000205
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide (CID 93004561) is 4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)Cc2cccs2)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is MNLBNGRLYSVNDD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO2S2/c1-16-9-11-20(12-10-16)25(22,23)21-18(15-19-8-5-13-24-19)14-17-6-3-2-4-7-17/h2-13,18,21H,14-15H2,1H3/t18-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 371.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 93004561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).