2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide

C24H34N2O3S — CID 134945858

IUPAC2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide
SMILESCCCCC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C24H34N2O3S/c1-6-7-8-20(17-25-30(28,29)22-15-9-18(2)10-16-22)19-11-13-21(14-12-19)26-23(27)24(3,4)5/h9-16,20,25H,6-8,17H2,1-5H3,(H,26,27)
InChIKeyNGUSYAAGYLQVTH-UHFFFAOYSA-N
MW430.61 g/mol
LogP5.23
Rot. Bonds9

About 2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide

2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide (PubChem CID 134945858) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide
PubChem CID134945858
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide
SMILESCCCCC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C24H34N2O3S/c1-6-7-8-20(17-25-30(28,29)22-15-9-18(2)10-16-22)19-11-13-21(14-12-19)26-23(27)24(3,4)5/h9-16,20,25H,6-8,17H2,1-5H3,(H,26,27)
InChIKeyNGUSYAAGYLQVTH-UHFFFAOYSA-N
XLogP5.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.61
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405
4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide
CID 102455391
1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate
CID 101158794
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 4927444
(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
CID 7801539
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131
N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 17309496
N-(2-azidohexyl)-4-methylbenzenesulfonamide
CID 11266449
2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4105692
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide (CID 134945858) is 2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide is CCCCC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide?
The InChIKey is NGUSYAAGYLQVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-6-7-8-20(17-25-30(28,29)22-15-9-18(2)10-16-22)19-11-13-21(14-12-19)26-23(27)24(3,4)5/h9-16,20,25H,6-8,17H2,1-5H3,(H,26,27).
What are the key properties of 2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide?
2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide has a molecular weight of 430.61 g/mol, XLogP of 5.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide is sourced from PubChem (CID 134945858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).