2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide

C25H28N2O6S — CID 100791352

IUPAC2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C25H28N2O6S/c1-26(20-10-12-21(31-2)13-11-20)25(28)18-27(17-19-8-6-5-7-9-19)34(29,30)22-14-15-23(32-3)24(16-22)33-4/h5-16H,17-18H2,1-4H3
InChIKeyMOSZYRIXLURYGQ-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.57
Rot. Bonds10

About 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide

2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 100791352) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
PubChem CID100791352
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C25H28N2O6S/c1-26(20-10-12-21(31-2)13-11-20)25(28)18-27(17-19-8-6-5-7-9-19)34(29,30)22-14-15-23(32-3)24(16-22)33-4/h5-16H,17-18H2,1-4H3
InChIKeyMOSZYRIXLURYGQ-UHFFFAOYSA-N
XLogP3.57
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100791349
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794488
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
CID 42111354
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794075
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 3117777
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100798501
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797990
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-butylacetamide
CID 126081614
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide (CID 100791352) is 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(N(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is MOSZYRIXLURYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-26(20-10-12-21(31-2)13-11-20)25(28)18-27(17-19-8-6-5-7-9-19)34(29,30)22-14-15-23(32-3)24(16-22)33-4/h5-16H,17-18H2,1-4H3.
What are the key properties of 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 484.57 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100791352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).