2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide

C25H28N2O4S — CID 133185850

IUPAC2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H28N2O4S/c1-4-23(20-15-16-24(31-3)19(2)17-20)26-25(28)18-27(21-11-7-5-8-12-21)32(29,30)22-13-9-6-10-14-22/h5-17,23H,4,18H2,1-3H3,(H,26,28)
InChIKeyVSGDAEDBDBEWJQ-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.47
Rot. Bonds9

About 2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide (PubChem CID 133185850) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
PubChem CID133185850
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H28N2O4S/c1-4-23(20-15-16-24(31-3)19(2)17-20)26-25(28)18-27(21-11-7-5-8-12-21)32(29,30)22-13-9-6-10-14-22/h5-17,23H,4,18H2,1-3H3,(H,26,28)
InChIKeyVSGDAEDBDBEWJQ-UHFFFAOYSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133251991
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 125057942
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900475
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133228876
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 100754383
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100557386
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133210176
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 133184398
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43891965
2-[N-(benzenesulfonyl)anilino]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28572138
2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133262289
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133161973

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide (CID 133185850) is 2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide is CCC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The InChIKey is VSGDAEDBDBEWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-23(20-15-16-24(31-3)19(2)17-20)26-25(28)18-27(21-11-7-5-8-12-21)32(29,30)22-13-9-6-10-14-22/h5-17,23H,4,18H2,1-3H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 133185850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).