N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

C11H19N3O4S — CID 65381999

IUPACN-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCCC(COC)NC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C11H19N3O4S/c1-3-4-8(7-18-2)14-11(15)10-5-9(6-13-10)19(12,16)17/h5-6,8,13H,3-4,7H2,1-2H3,(H,14,15)(H2,12,16,17)
InChIKeyCVOTYQUPMBSUFE-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.21
Rot. Bonds7

About N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 65381999) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID65381999
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCCC(COC)NC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C11H19N3O4S/c1-3-4-8(7-18-2)14-11(15)10-5-9(6-13-10)19(12,16)17/h5-6,8,13H,3-4,7H2,1-2H3,(H,14,15)(H2,12,16,17)
InChIKeyCVOTYQUPMBSUFE-UHFFFAOYSA-N
XLogP0.21
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-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-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388887
3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide
CID 65382617
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65380794
3-methylbutyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65380855
5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367433
4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 103799622
N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375173
N-(1-cyclopropylethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386253
N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387692

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 65381999) is N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is CCCC(COC)NC(=O)c1cc(S(N)(=O)=O)c[nH]1.
What is the InChIKey of N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is CVOTYQUPMBSUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-4-8(7-18-2)14-11(15)10-5-9(6-13-10)19(12,16)17/h5-6,8,13H,3-4,7H2,1-2H3,(H,14,15)(H2,12,16,17).
What are the key properties of N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65381999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).