2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide

C22H30N2O3S — CID 126413358

IUPAC2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H30N2O3S/c1-4-6-7-16-23-22(25)17-24(20-12-10-19(5-2)11-13-20)28(26,27)21-14-8-18(3)9-15-21/h8-15H,4-7,16-17H2,1-3H3,(H,23,25)
InChIKeyFROIKWHABIVGJA-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.06
Rot. Bonds10

About 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide

2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide (PubChem CID 126413358) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
PubChem CID126413358
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H30N2O3S/c1-4-6-7-16-23-22(25)17-24(20-12-10-19(5-2)11-13-20)28(26,27)21-14-8-18(3)9-15-21/h8-15H,4-7,16-17H2,1-3H3,(H,23,25)
InChIKeyFROIKWHABIVGJA-UHFFFAOYSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.06
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

2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126317365
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30229583
N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126128117
N-hexyl-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 127046267
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-butylacetamide
CID 126116858
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30251563
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30215078
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30175211
N-(3-ethoxypropyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152032
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide?
The IUPAC name of 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide (CID 126413358) is 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide?
The canonical SMILES for 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide is CCCCCNC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide?
The InChIKey is FROIKWHABIVGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-4-6-7-16-23-22(25)17-24(20-12-10-19(5-2)11-13-20)28(26,27)21-14-8-18(3)9-15-21/h8-15H,4-7,16-17H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide?
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide has a molecular weight of 402.56 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide is sourced from PubChem (CID 126413358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).