N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide

C21H23N3O4S — CID 16599804

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23N3O4S/c1-15-7-8-16(13-18(15)24-11-5-6-12-24)21(25)22-17-9-10-19(28-4)20(14-17)29(26,27)23(2)3/h5-14H,1-4H3,(H,22,25)
InChIKeyKNYXVLWMZZJAOY-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.30
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 16599804) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID16599804
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23N3O4S/c1-15-7-8-16(13-18(15)24-11-5-6-12-24)21(25)22-17-9-10-19(28-4)20(14-17)29(26,27)23(2)3/h5-14H,1-4H3,(H,22,25)
InChIKeyKNYXVLWMZZJAOY-UHFFFAOYSA-N
XLogP3.30
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide 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-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methyl-4-nitrobenzamide
CID 9106568
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-propan-2-ylbenzamide
CID 9106497
N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590326
N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590163
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 55556618
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 25439136
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
N-[4-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55653581
3-(dimethylsulfamoyl)-N-(9-ethylcarbazol-3-yl)-4-methoxybenzamide
CID 45374091

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide (CID 16599804) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide is COc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is KNYXVLWMZZJAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15-7-8-16(13-18(15)24-11-5-6-12-24)21(25)22-17-9-10-19(28-4)20(14-17)29(26,27)23(2)3/h5-14H,1-4H3,(H,22,25).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 413.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 16599804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).