N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide

C28H34N2O7S — CID 43872582

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C28H34N2O7S/c1-7-37-23-12-10-22(11-13-23)30(38(32,33)27-16-19(2)8-14-25(27)35-5)18-28(31)29-20(3)21-9-15-24(34-4)26(17-21)36-6/h8-17,20H,7,18H2,1-6H3,(H,29,31)
InChIKeyNZIJMEMDZTXLGE-UHFFFAOYSA-N
MW542.65 g/mol
LogP4.49
Rot. Bonds12

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43872582) has the molecular formula C28H34N2O7S and a molecular weight of 542.65 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
PubChem CID43872582
Molecular FormulaC28H34N2O7S
Molecular Weight542.65 g/mol
Exact Mass542.21
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C28H34N2O7S/c1-7-37-23-12-10-22(11-13-23)30(38(32,33)27-16-19(2)8-14-25(27)35-5)18-28(31)29-20(3)21-9-15-24(34-4)26(17-21)36-6/h8-17,20H,7,18H2,1-6H3,(H,29,31)
InChIKeyNZIJMEMDZTXLGE-UHFFFAOYSA-N
XLogP4.49
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.65
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548160
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 28633772
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28548002
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401519
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43908509
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94861508
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902412
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 94019420
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43875282
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547217
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125052912

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (CID 43872582) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is CCOc1ccc(N(CC(=O)NC(C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is NZIJMEMDZTXLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O7S/c1-7-37-23-12-10-22(11-13-23)30(38(32,33)27-16-19(2)8-14-25(27)35-5)18-28(31)29-20(3)21-9-15-24(34-4)26(17-21)36-6/h8-17,20H,7,18H2,1-6H3,(H,29,31).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 542.65 g/mol, XLogP of 4.49, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43872582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).