N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide

C30H31NO3S — CID 102151911

IUPACN-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCc2ccccc2)[C@H](c2ccccc2)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C30H31NO3S/c1-24-19-21-28(22-20-24)35(33,34)31(23-11-14-25-12-5-2-6-13-25)29(26-15-7-3-8-16-26)30(32)27-17-9-4-10-18-27/h2-10,12-13,15-22,29-30,32H,11,14,23H2,1H3/t29-,30-/m1/s1
InChIKeyOFMLRODFDYEUON-LOYHVIPDSA-N
MW485.65 g/mol
LogP6.09
Rot. Bonds10

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

N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 102151911) has the molecular formula C30H31NO3S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID102151911
Molecular FormulaC30H31NO3S
Molecular Weight485.65 g/mol
Exact Mass485.20
IUPAC NameN-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCc2ccccc2)[C@H](c2ccccc2)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C30H31NO3S/c1-24-19-21-28(22-20-24)35(33,34)31(23-11-14-25-12-5-2-6-13-25)29(26-15-7-3-8-16-26)30(32)27-17-9-4-10-18-27/h2-10,12-13,15-22,29-30,32H,11,14,23H2,1H3/t29-,30-/m1/s1
InChIKeyOFMLRODFDYEUON-LOYHVIPDSA-N
XLogP6.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.65
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1S,2S)-2-[methyl(3-phenylpropyl)amino]-1,2-diphenylethyl]benzenesulfonamide
CID 132965881
N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 67367150
(2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 11825728
N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
CID 72966793
(2S)-2-[chloromethyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 67737076
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
CID 110415332
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
N-benzyl-4-methyl-N-(3-methyl-1-phenylbut-3-en-2-yl)benzenesulfonamide
CID 14811520
[methyl(3-phenylpropyl)amino] 4-methylbenzenesulfonate;3-phenylpropan-1-ol
CID 161089743
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide
CID 11223942
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide (CID 102151911) is N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCCc2ccccc2)[C@H](c2ccccc2)[C@H](O)c2ccccc2)cc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is OFMLRODFDYEUON-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H31NO3S/c1-24-19-21-28(22-20-24)35(33,34)31(23-11-14-25-12-5-2-6-13-25)29(26-15-7-3-8-16-26)30(32)27-17-9-4-10-18-27/h2-10,12-13,15-22,29-30,32H,11,14,23H2,1H3/t29-,30-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide?
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 485.65 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 102151911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).