2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide

C27H32N2O4S — CID 30175236

IUPAC2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
SMILESCCCOc1ccccc1CCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H32N2O4S/c1-3-20-33-26-14-8-7-10-23(26)11-9-19-28-27(30)21-29(24-17-15-22(2)16-18-24)34(31,32)25-12-5-4-6-13-25/h4-8,10,12-18H,3,9,11,19-21H2,1-2H3,(H,28,30)
InChIKeyDBCJLLMFXMVOIM-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.73
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide (PubChem CID 30175236) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
PubChem CID30175236
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
SMILESCCCOc1ccccc1CCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H32N2O4S/c1-3-20-33-26-14-8-7-10-23(26)11-9-19-28-27(30)21-29(24-17-15-22(2)16-18-24)34(31,32)25-12-5-4-6-13-25/h4-8,10,12-18H,3,9,11,19-21H2,1-2H3,(H,28,30)
InChIKeyDBCJLLMFXMVOIM-UHFFFAOYSA-N
XLogP4.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30203079
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30200922
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 43893372
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30303626
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30212432
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 43896911
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30209474
2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
CID 100763497
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30203542
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30205702
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide
CID 30200017

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide (CID 30175236) is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide is CCCOc1ccccc1CCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The InChIKey is DBCJLLMFXMVOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-3-20-33-26-14-8-7-10-23(26)11-9-19-28-27(30)21-29(24-17-15-22(2)16-18-24)34(31,32)25-12-5-4-6-13-25/h4-8,10,12-18H,3,9,11,19-21H2,1-2H3,(H,28,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide has a molecular weight of 480.63 g/mol, XLogP of 4.73, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30175236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).