4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide

C31H34N2O2S — CID 132965881

IUPAC4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)[C@H](c2ccccc2)N(C)CCCc2ccccc2)cc1
InChIInChI=1S/C31H34N2O2S/c1-25-20-22-29(23-21-25)36(34,35)32-30(27-16-8-4-9-17-27)31(28-18-10-5-11-19-28)33(2)24-12-15-26-13-6-3-7-14-26/h3-11,13-14,16-23,30-32H,12,15,24H2,1-2H3/t30?,31-/m0/s1
InChIKeyDFTLKAJAEXVQIA-FLDQDSGZSA-N
MW498.69 g/mol
LogP6.32
Rot. Bonds11

About 4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide

4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide (PubChem CID 132965881) has the molecular formula C31H34N2O2S and a molecular weight of 498.69 g/mol. Its IUPAC name is 4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide
PubChem CID132965881
Molecular FormulaC31H34N2O2S
Molecular Weight498.69 g/mol
Exact Mass498.23
IUPAC Name4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)[C@H](c2ccccc2)N(C)CCCc2ccccc2)cc1
InChIInChI=1S/C31H34N2O2S/c1-25-20-22-29(23-21-25)36(34,35)32-30(27-16-8-4-9-17-27)31(28-18-10-5-11-19-28)33(2)24-12-15-26-13-6-3-7-14-26/h3-11,13-14,16-23,30-32H,12,15,24H2,1-2H3/t30?,31-/m0/s1
InChIKeyDFTLKAJAEXVQIA-FLDQDSGZSA-N
XLogP6.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.69
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1S,2S)-2-nitro-1-phenylpropyl]benzenesulfonamide
CID 71425019
N-[(1R,2R)-2-[3-(4-methoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 102106512
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 102151911
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
N-[(1R,2R)-2-(benzylamino)-3-methyl-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 54762323
(2S,3R)-2-hydroxy-N,N-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 15364003
2-hydroxy-N,N-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 11013907
N-[(1S)-2,2-dimethoxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 101203373
N-[(1R,2R)-2-[3-(3,5-dimethoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 90152510
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide (CID 132965881) is 4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)[C@H](c2ccccc2)N(C)CCCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide?
The InChIKey is DFTLKAJAEXVQIA-FLDQDSGZSA-N. The full InChI is InChI=1S/C31H34N2O2S/c1-25-20-22-29(23-21-25)36(34,35)32-30(27-16-8-4-9-17-27)31(28-18-10-5-11-19-28)33(2)24-12-15-26-13-6-3-7-14-26/h3-11,13-14,16-23,30-32H,12,15,24H2,1-2H3/t30?,31-/m0/s1.
What are the key properties of 4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide?
4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide has a molecular weight of 498.69 g/mol, XLogP of 6.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide is sourced from PubChem (CID 132965881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).