N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide

C22H29NO3S — CID 19210416

IUPACN-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
SMILESCCCCC(=O)N(c1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H29NO3S/c1-4-6-8-19-12-14-20(15-13-19)23(22(24)9-7-5-2)27(25,26)21-16-10-18(3)11-17-21/h10-17H,4-9H2,1-3H3
InChIKeyDEUWDYAFOUZTJW-UHFFFAOYSA-N
MW387.55 g/mol
LogP5.25
Rot. Bonds9

About N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide

N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide (PubChem CID 19210416) has the molecular formula C22H29NO3S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
PubChem CID19210416
Molecular FormulaC22H29NO3S
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC NameN-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
SMILESCCCCC(=O)N(c1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H29NO3S/c1-4-6-8-19-12-14-20(15-13-19)23(22(24)9-7-5-2)27(25,26)21-16-10-18(3)11-17-21/h10-17H,4-9H2,1-3H3
InChIKeyDEUWDYAFOUZTJW-UHFFFAOYSA-N
XLogP5.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-6-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylhexanamide
CID 19219107
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219016
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218406
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
CID 19218615
4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211041
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylfuran-2-carboxamide
CID 19210446
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210471

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide?
The IUPAC name of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide (CID 19210416) is N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide.
What is the SMILES notation for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide?
The canonical SMILES for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide is CCCCC(=O)N(c1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide?
The InChIKey is DEUWDYAFOUZTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3S/c1-4-6-8-19-12-14-20(15-13-19)23(22(24)9-7-5-2)27(25,26)21-16-10-18(3)11-17-21/h10-17H,4-9H2,1-3H3.
What are the key properties of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide?
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide has a molecular weight of 387.55 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide is sourced from PubChem (CID 19210416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).