4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C26H29N3O7S2 — CID 2979059

IUPAC4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1OC
InChIInChI=1S/C26H29N3O7S2/c1-28(37(31,32)23-14-15-24(35-2)25(18-23)36-3)21-10-6-19(7-11-21)26(30)27-20-8-12-22(13-9-20)38(33,34)29-16-4-5-17-29/h6-15,18H,4-5,16-17H2,1-3H3,(H,27,30)
InChIKeyHZMITRRUPLAXTP-UHFFFAOYSA-N
MW559.67 g/mol
LogP3.57
Rot. Bonds9

About 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 2979059) has the molecular formula C26H29N3O7S2 and a molecular weight of 559.67 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID2979059
Molecular FormulaC26H29N3O7S2
Molecular Weight559.67 g/mol
Exact Mass559.14
IUPAC Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1OC
InChIInChI=1S/C26H29N3O7S2/c1-28(37(31,32)23-14-15-24(35-2)25(18-23)36-3)21-10-6-19(7-11-21)26(30)27-20-8-12-22(13-9-20)38(33,34)29-16-4-5-17-29/h6-15,18H,4-5,16-17H2,1-3H3,(H,27,30)
InChIKeyHZMITRRUPLAXTP-UHFFFAOYSA-N
XLogP3.57
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.67
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)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

4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1296255
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 25439136
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 43876196
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
N-[4-(2-adamantyl)phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412365
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92642400
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126416137
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385896
4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252591

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 2979059) is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is HZMITRRUPLAXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O7S2/c1-28(37(31,32)23-14-15-24(35-2)25(18-23)36-3)21-10-6-19(7-11-21)26(30)27-20-8-12-22(13-9-20)38(33,34)29-16-4-5-17-29/h6-15,18H,4-5,16-17H2,1-3H3,(H,27,30).
What are the key properties of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 559.67 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2979059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).