4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

C19H26N4O3S — CID 126803379

IUPAC4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCCCN1Cc2ccc(NS(=O)(=O)c3cc(C(=O)NC)n(C)c3)cc2C1
InChIInChI=1S/C19H26N4O3S/c1-4-5-8-23-11-14-6-7-16(9-15(14)12-23)21-27(25,26)17-10-18(19(24)20-2)22(3)13-17/h6-7,9-10,13,21H,4-5,8,11-12H2,1-3H3,(H,20,24)
InChIKeyRSSKQBRZAYSUMF-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.30
Rot. Bonds7

About 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 126803379) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID126803379
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCCCN1Cc2ccc(NS(=O)(=O)c3cc(C(=O)NC)n(C)c3)cc2C1
InChIInChI=1S/C19H26N4O3S/c1-4-5-8-23-11-14-6-7-16(9-15(14)12-23)21-27(25,26)17-10-18(19(24)20-2)22(3)13-17/h6-7,9-10,13,21H,4-5,8,11-12H2,1-3H3,(H,20,24)
InChIKeyRSSKQBRZAYSUMF-UHFFFAOYSA-N
XLogP2.30
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide 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,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide
CID 38890446
4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 39333240
4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 38891806
N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 39345340
5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide
CID 47092803
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
N,1-dimethyl-4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfamoyl]pyrrole-2-carboxamide
CID 38891075
4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 62664942
4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 65113366
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63298942
4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55573254

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (CID 126803379) is 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is CCCCN1Cc2ccc(NS(=O)(=O)c3cc(C(=O)NC)n(C)c3)cc2C1.
What is the InChIKey of 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is RSSKQBRZAYSUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-5-8-23-11-14-6-7-16(9-15(14)12-23)21-27(25,26)17-10-18(19(24)20-2)22(3)13-17/h6-7,9-10,13,21H,4-5,8,11-12H2,1-3H3,(H,20,24).
What are the key properties of 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 126803379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).