3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide

C21H25N3O5S — CID 55672469

IUPAC3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C21H25N3O5S/c1-15-8-6-11-18(21(26)24-12-4-5-13-24)19(15)22-20(25)16-9-7-10-17(14-16)30(27,28)23(2)29-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25)
InChIKeyOEJXNLAYPOEZBL-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.67
Rot. Bonds6

About 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide

3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 55672469) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID55672469
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C21H25N3O5S/c1-15-8-6-11-18(21(26)24-12-4-5-13-24)19(15)22-20(25)16-9-7-10-17(14-16)30(27,28)23(2)29-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25)
InChIKeyOEJXNLAYPOEZBL-UHFFFAOYSA-N
XLogP2.67
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]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-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55643343
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 33304671
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
4-[(4-methylphenyl)sulfonylmethyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 112832711
N-methoxy-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide
CID 55919176
methyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate
CID 43069472
4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 86980033
2,5-dichloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55643315
N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9191609
5-methoxy-3-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
CID 55672407

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 55672469) is 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is OEJXNLAYPOEZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15-8-6-11-18(21(26)24-12-4-5-13-24)19(15)22-20(25)16-9-7-10-17(14-16)30(27,28)23(2)29-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide?
3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 431.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55672469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).