2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide

C25H28N2O4S — CID 43885576

IUPAC2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-24(20-12-16-22(31-3)17-13-20)26-25(28)18-27(21-14-10-19(2)11-15-21)32(29,30)23-8-6-5-7-9-23/h5-17,24H,4,18H2,1-3H3,(H,26,28)
InChIKeyGMFDOHBZKLCMPV-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.47
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 43885576) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
PubChem CID43885576
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-24(20-12-16-22(31-3)17-13-20)26-25(28)18-27(21-14-10-19(2)11-15-21)32(29,30)23-8-6-5-7-9-23/h5-17,24H,4,18H2,1-3H3,(H,26,28)
InChIKeyGMFDOHBZKLCMPV-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

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304440
2-[N-(benzenesulfonyl)anilino]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28572138
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28576788
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303633
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30175779
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304509
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30306794
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 30306621
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43894621
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30252296
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43891965
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 100754383

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide (CID 43885576) is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide is CCC(NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is GMFDOHBZKLCMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-24(20-12-16-22(31-3)17-13-20)26-25(28)18-27(21-14-10-19(2)11-15-21)32(29,30)23-8-6-5-7-9-23/h5-17,24H,4,18H2,1-3H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)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)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 43885576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).