2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide

C15H24N2O3S — CID 100787251

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-5-6-11-16-15(18)12-13-7-9-14(10-8-13)17(2)21(3,19)20/h7-10H,4-6,11-12H2,1-3H3,(H,16,18)
InChIKeyUVMLRQHAPNJXOC-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.93
Rot. Bonds8

About 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide

2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide (PubChem CID 100787251) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide
PubChem CID100787251
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-5-6-11-16-15(18)12-13-7-9-14(10-8-13)17(2)21(3,19)20/h7-10H,4-6,11-12H2,1-3H3,(H,16,18)
InChIKeyUVMLRQHAPNJXOC-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786993
N-butyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771261
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786990
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320
N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133210421
N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786982
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide (CID 100787251) is 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide is CCCCCNC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide?
The InChIKey is UVMLRQHAPNJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-5-6-11-16-15(18)12-13-7-9-14(10-8-13)17(2)21(3,19)20/h7-10H,4-6,11-12H2,1-3H3,(H,16,18).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide?
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide has a molecular weight of 312.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide is sourced from PubChem (CID 100787251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).