2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C26H30N2O7S — CID 30202883

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCc1ccc(OC)c(OC)c1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H30N2O7S/c1-5-35-22-14-10-9-13-21(22)28(36(30,31)20-11-7-6-8-12-20)18-24(29)27-17-19-15-16-23(32-2)26(34-4)25(19)33-3/h6-16H,5,17-18H2,1-4H3,(H,27,29)
InChIKeyMCUHVLMTPJEHGV-UHFFFAOYSA-N
MW514.60 g/mol
LogP3.62
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 30202883) has the molecular formula C26H30N2O7S and a molecular weight of 514.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID30202883
Molecular FormulaC26H30N2O7S
Molecular Weight514.60 g/mol
Exact Mass514.18
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCc1ccc(OC)c(OC)c1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H30N2O7S/c1-5-35-22-14-10-9-13-21(22)28(36(30,31)20-11-7-6-8-12-20)18-24(29)27-17-19-15-16-23(32-2)26(34-4)25(19)33-3/h6-16H,5,17-18H2,1-4H3,(H,27,29)
InChIKeyMCUHVLMTPJEHGV-UHFFFAOYSA-N
XLogP3.62
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.60
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1336294
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30202889
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2894039
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30229852
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 46769210
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 43898908
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 53280241
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30303626
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30202878
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 94838348

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 30202883) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is CCOc1ccccc1N(CC(=O)NCc1ccc(OC)c(OC)c1OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is MCUHVLMTPJEHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O7S/c1-5-35-22-14-10-9-13-21(22)28(36(30,31)20-11-7-6-8-12-20)18-24(29)27-17-19-15-16-23(32-2)26(34-4)25(19)33-3/h6-16H,5,17-18H2,1-4H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 514.60 g/mol, XLogP of 3.62, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30202883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).