2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C25H28N2O4S — CID 2278987

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-9-10-20(2)24(17-19)27(32(29,30)23-7-5-4-6-8-23)18-25(28)26-16-15-21-11-13-22(31-3)14-12-21/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)
InChIKeyJHPXINWXKUOIOR-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.87
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2278987) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2278987
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-9-10-20(2)24(17-19)27(32(29,30)23-7-5-4-6-8-23)18-25(28)26-16-15-21-11-13-22(31-3)14-12-21/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)
InChIKeyJHPXINWXKUOIOR-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2897499
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51344354
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303724
2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132688026
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2865069
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3764513
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30206148
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2285614
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30209868
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30212134

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 2278987) is 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is JHPXINWXKUOIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19-9-10-20(2)24(17-19)27(32(29,30)23-7-5-4-6-8-23)18-25(28)26-16-15-21-11-13-22(31-3)14-12-21/h4-14,17H,15-16,18H2,1-3H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2278987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).