3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide

C24H26ClN3O6S — CID 26225966

IUPAC3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(NCc2ccc(OC)c(OC)c2Cl)cc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C24H26ClN3O6S/c1-26-35(30,31)20-12-16(24(29)28-17-6-8-19(32-2)9-7-17)11-18(13-20)27-14-15-5-10-21(33-3)23(34-4)22(15)25/h5-13,26-27H,14H2,1-4H3,(H,28,29)
InChIKeyCOBJUQCBWMQVRS-UHFFFAOYSA-N
MW520.01 g/mol
LogP4.14
Rot. Bonds10

About 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide

3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide (PubChem CID 26225966) has the molecular formula C24H26ClN3O6S and a molecular weight of 520.01 g/mol. Its IUPAC name is 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
PubChem CID26225966
Molecular FormulaC24H26ClN3O6S
Molecular Weight520.01 g/mol
Exact Mass519.12
IUPAC Name3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(NCc2ccc(OC)c(OC)c2Cl)cc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C24H26ClN3O6S/c1-26-35(30,31)20-12-16(24(29)28-17-6-8-19(32-2)9-7-17)11-18(13-20)27-14-15-5-10-21(33-3)23(34-4)22(15)25/h5-13,26-27H,14H2,1-4H3,(H,28,29)
InChIKeyCOBJUQCBWMQVRS-UHFFFAOYSA-N
XLogP4.14
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.01
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide 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

N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide
CID 26142268
3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
CID 26222119
4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 167797791
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26642074
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide?
The IUPAC name of 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide (CID 26225966) is 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(NCc2ccc(OC)c(OC)c2Cl)cc(C(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide?
The InChIKey is COBJUQCBWMQVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O6S/c1-26-35(30,31)20-12-16(24(29)28-17-6-8-19(32-2)9-7-17)11-18(13-20)27-14-15-5-10-21(33-3)23(34-4)22(15)25/h5-13,26-27H,14H2,1-4H3,(H,28,29).
What are the key properties of 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide?
3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide has a molecular weight of 520.01 g/mol, XLogP of 4.14, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 26225966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).