2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide

C27H32N2O7S — CID 133164937

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)c2ccccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H32N2O7S/c1-6-36-21-13-11-20(12-14-21)29(37(31,32)22-15-16-25(34-4)26(17-22)35-5)18-27(30)28-19(2)23-9-7-8-10-24(23)33-3/h7-17,19H,6,18H2,1-5H3,(H,28,30)
InChIKeyKCYUXRCJWDJGOZ-UHFFFAOYSA-N
MW528.63 g/mol
LogP4.18
Rot. Bonds12

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 133164937) 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-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID133164937
Molecular FormulaC27H32N2O7S
Molecular Weight528.63 g/mol
Exact Mass528.19
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)c2ccccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H32N2O7S/c1-6-36-21-13-11-20(12-14-21)29(37(31,32)22-15-16-25(34-4)26(17-22)35-5)18-27(30)28-19(2)23-9-7-8-10-24(23)33-3/h7-17,19H,6,18H2,1-5H3,(H,28,30)
InChIKeyKCYUXRCJWDJGOZ-UHFFFAOYSA-N
XLogP4.18
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133202270
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100546093
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125060392
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251683
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897454
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 125058440
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide
CID 53280344
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94864421
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(2-methylpropyl)acetamide
CID 53280494
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125052912
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 28633772
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-ethoxyphenyl)acetamide
CID 53280603

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 133164937) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide is CCOc1ccc(N(CC(=O)NC(C)c2ccccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is KCYUXRCJWDJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O7S/c1-6-36-21-13-11-20(12-14-21)29(37(31,32)22-15-16-25(34-4)26(17-22)35-5)18-27(30)28-19(2)23-9-7-8-10-24(23)33-3/h7-17,19H,6,18H2,1-5H3,(H,28,30).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 528.63 g/mol, XLogP of 4.18, 12 rotatable bonds, 1 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-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 133164937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).