2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide

C25H28N2O5S — CID 133202270

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-32-21-16-14-20(15-17-21)27(33(29,30)22-10-6-5-7-11-22)18-25(28)26-19(2)23-12-8-9-13-24(23)31-3/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyQCWQTRVTUJEUTC-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.17
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 133202270) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID133202270
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-32-21-16-14-20(15-17-21)27(33(29,30)22-10-6-5-7-11-22)18-25(28)26-19(2)23-12-8-9-13-24(23)31-3/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyQCWQTRVTUJEUTC-UHFFFAOYSA-N
XLogP4.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 125058440
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100546093
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133164937
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125084920
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 24607004
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546628
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43902042
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30377521
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631808
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125052912
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133158342

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 133202270) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide is CCOc1ccc(N(CC(=O)NC(C)c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is QCWQTRVTUJEUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-32-21-16-14-20(15-17-21)27(33(29,30)22-10-6-5-7-11-22)18-25(28)26-19(2)23-12-8-9-13-24(23)31-3/h5-17,19H,4,18H2,1-3H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 133202270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).