2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide

C24H25N3O8S — CID 1302805

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H25N3O8S/c1-16-5-7-17(8-6-16)26(36(31,32)19-10-12-22(34-3)23(14-19)35-4)15-24(28)25-20-13-18(27(29)30)9-11-21(20)33-2/h5-14H,15H2,1-4H3,(H,25,28)
InChIKeyDBMLKCXBZMBAQG-UHFFFAOYSA-N
MW515.54 g/mol
LogP3.76
Rot. Bonds10

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 1302805) has the molecular formula C24H25N3O8S and a molecular weight of 515.54 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID1302805
Molecular FormulaC24H25N3O8S
Molecular Weight515.54 g/mol
Exact Mass515.14
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H25N3O8S/c1-16-5-7-17(8-6-16)26(36(31,32)19-10-12-22(34-3)23(14-19)35-4)15-24(28)25-20-13-18(27(29)30)9-11-21(20)33-2/h5-14H,15H2,1-4H3,(H,25,28)
InChIKeyDBMLKCXBZMBAQG-UHFFFAOYSA-N
XLogP3.76
TPSA137.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide 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-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 126118203
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 126318667
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 1312620
N-(5-chloro-2-methoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 22193652
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1338618
N-(2-chloro-5-nitrophenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30276759
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 126136458
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 30264956
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 27042991
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1118204
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902177
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxyethyl)acetamide
CID 2261079

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 1302805) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is DBMLKCXBZMBAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O8S/c1-16-5-7-17(8-6-16)26(36(31,32)19-10-12-22(34-3)23(14-19)35-4)15-24(28)25-20-13-18(27(29)30)9-11-21(20)33-2/h5-14H,15H2,1-4H3,(H,25,28).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 515.54 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 1302805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).