4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

C13H23N3O4S — CID 65113366

IUPAC4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1cc(C(=O)NC)n(C)c1
InChIInChI=1S/C13H23N3O4S/c1-5-13(18,6-2)9-15-21(19,20)10-7-11(12(17)14-3)16(4)8-10/h7-8,15,18H,5-6,9H2,1-4H3,(H,14,17)
InChIKeyFWCPLAKRQLFLEM-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.21
Rot. Bonds7

About 4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 65113366) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID65113366
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1cc(C(=O)NC)n(C)c1
InChIInChI=1S/C13H23N3O4S/c1-5-13(18,6-2)9-15-21(19,20)10-7-11(12(17)14-3)16(4)8-10/h7-8,15,18H,5-6,9H2,1-4H3,(H,14,17)
InChIKeyFWCPLAKRQLFLEM-UHFFFAOYSA-N
XLogP0.21
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 62664942
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
4-[(1-aminocycloheptyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 119998679
4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide
CID 65193315
3-methyl-4-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 81066158
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63298942
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115754747
N,1-dimethyl-4-[(4-methylpiperidin-4-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720016
N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 62541291
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
(2S,3R)-3-hydroxy-2-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 104935223

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (CID 65113366) is 4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is CCC(O)(CC)CNS(=O)(=O)c1cc(C(=O)NC)n(C)c1.
What is the InChIKey of 4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is FWCPLAKRQLFLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-5-13(18,6-2)9-15-21(19,20)10-7-11(12(17)14-3)16(4)8-10/h7-8,15,18H,5-6,9H2,1-4H3,(H,14,17).
What are the key properties of 4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 65113366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).