2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C27H32N2O7S — CID 92671711

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(N(CC(=O)N(C)Cc2ccccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H32N2O7S/c1-6-36-22-13-11-21(12-14-22)29(37(31,32)23-15-16-25(34-4)26(17-23)35-5)19-27(30)28(2)18-20-9-7-8-10-24(20)33-3/h7-17H,6,18-19H2,1-5H3
InChIKeyZWDLXWOBALMMDA-UHFFFAOYSA-N
MW528.63 g/mol
LogP3.96
Rot. Bonds12

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 92671711) has the molecular formula C27H32N2O7S and a molecular weight of 528.63 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID92671711
Molecular FormulaC27H32N2O7S
Molecular Weight528.63 g/mol
Exact Mass528.19
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(N(CC(=O)N(C)Cc2ccccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H32N2O7S/c1-6-36-22-13-11-21(12-14-22)29(37(31,32)23-15-16-25(34-4)26(17-23)35-5)19-27(30)28(2)18-20-9-7-8-10-24(20)33-3/h7-17H,6,18-19H2,1-5H3
InChIKeyZWDLXWOBALMMDA-UHFFFAOYSA-N
XLogP3.96
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetate
CID 1311116
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92647368
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133164937
N-(4-ethoxyphenyl)-3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4518624
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-ethoxyphenyl)acetamide
CID 53280603
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methoxyphenyl)acetamide
CID 53280585
(2R)-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 125073884
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92673487
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 99956830
2-[benzyl-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]-N-butylpropanamide
CID 132752527
(2R)-2-[benzyl-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 125067332
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(2-methylpropyl)acetamide
CID 53280494

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 92671711) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is CCOc1ccc(N(CC(=O)N(C)Cc2ccccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is ZWDLXWOBALMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O7S/c1-6-36-22-13-11-21(12-14-22)29(37(31,32)23-15-16-25(34-4)26(17-23)35-5)19-27(30)28(2)18-20-9-7-8-10-24(20)33-3/h7-17H,6,18-19H2,1-5H3.
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 528.63 g/mol, XLogP of 3.96, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 92671711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).