N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide

C23H33NO2S — CID 10620266

IUPACN-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(CCc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H33NO2S/c1-18(2)27(25,26)24-17-21(12-11-19-9-7-6-8-10-19)20-13-15-22(16-14-20)23(3,4)5/h6-10,13-16,18,21,24H,11-12,17H2,1-5H3
InChIKeyOFTQWYCCIXODJR-UHFFFAOYSA-N
MW387.59 g/mol
LogP5.03
Rot. Bonds8

About N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide

N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide (PubChem CID 10620266) has the molecular formula C23H33NO2S and a molecular weight of 387.59 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide
PubChem CID10620266
Molecular FormulaC23H33NO2S
Molecular Weight387.59 g/mol
Exact Mass387.22
IUPAC NameN-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(CCc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H33NO2S/c1-18(2)27(25,26)24-17-21(12-11-19-9-7-6-8-10-19)20-13-15-22(16-14-20)23(3,4)5/h6-10,13-16,18,21,24H,11-12,17H2,1-5H3
InChIKeyOFTQWYCCIXODJR-UHFFFAOYSA-N
XLogP5.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mibampator
CID 9889366
N-(2-(4'-Cyano-[1,1'-biphenyl]-4-yl)propyl)propane-2-sulfonamide
CID 9928016
LY 392098
CID 9927707
Aromatic/heteroaromatic sulfonamide 35
CID 11553012
N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 807610
N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
4-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 976424
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
(+/-) Propane-2-sulfonic acid (2-phenyl-cyclopentyl)-amide
CID 10199241
Propane-2-sulfonic acid (2-biphenyl-4-yl-propyl)-amide
CID 10829310
Propane-2-sulfonic acid [2-(4''-methyl-biphenyl-4-yl)-propyl]-amide
CID 10853988
(+/-) Propane-2-sulfonic acid (2-p-tolyl-cyclopentyl)-amide
CID 10967953

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide (CID 10620266) is N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(CCc1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide?
The InChIKey is OFTQWYCCIXODJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2S/c1-18(2)27(25,26)24-17-21(12-11-19-9-7-6-8-10-19)20-13-15-22(16-14-20)23(3,4)5/h6-10,13-16,18,21,24H,11-12,17H2,1-5H3.
What are the key properties of N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide?
N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide has a molecular weight of 387.59 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-4-phenylbutyl]propane-2-sulfonamide is sourced from PubChem (CID 10620266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).