2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

C28H34N2O7S — CID 43897454

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)COc2ccccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H34N2O7S/c1-6-36-23-13-11-22(12-14-23)30(38(32,33)24-15-16-26(34-4)27(17-24)35-5)18-28(31)29-21(3)19-37-25-10-8-7-9-20(25)2/h7-17,21H,6,18-19H2,1-5H3,(H,29,31)
InChIKeyOCOGOFULPPTEQI-UHFFFAOYSA-N
MW542.65 g/mol
LogP4.19
Rot. Bonds13

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (PubChem CID 43897454) has the molecular formula C28H34N2O7S and a molecular weight of 542.65 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
PubChem CID43897454
Molecular FormulaC28H34N2O7S
Molecular Weight542.65 g/mol
Exact Mass542.21
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)COc2ccccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H34N2O7S/c1-6-36-23-13-11-22(12-14-23)30(38(32,33)24-15-16-26(34-4)27(17-24)35-5)18-28(31)29-21(3)19-37-25-10-8-7-9-20(25)2/h7-17,21H,6,18-19H2,1-5H3,(H,29,31)
InChIKeyOCOGOFULPPTEQI-UHFFFAOYSA-N
XLogP4.19
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.65
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133164937
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43894531
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43892469
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30220436
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897761
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
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892699
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133161973
N-[(2S)-butan-2-yl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 27235758
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methoxyphenyl)acetamide
CID 53280585

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (CID 43897454) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is CCOc1ccc(N(CC(=O)NC(C)COc2ccccc2C)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-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is OCOGOFULPPTEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O7S/c1-6-36-23-13-11-22(12-14-23)30(38(32,33)24-15-16-26(34-4)27(17-24)35-5)18-28(31)29-21(3)19-37-25-10-8-7-9-20(25)2/h7-17,21H,6,18-19H2,1-5H3,(H,29,31).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 542.65 g/mol, XLogP of 4.19, 13 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-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 43897454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).