1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide

C13H21N3O3S — CID 114611971

IUPAC1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(S(N)(=O)=O)cn1C1CC1
InChIInChI=1S/C13H21N3O3S/c1-9(2)5-6-15-13(17)12-7-11(20(14,18)19)8-16(12)10-3-4-10/h7-10H,3-6H2,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyZSXGIBCHCWFNDK-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.25
Rot. Bonds6

About 1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide

1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114611971) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114611971
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(S(N)(=O)=O)cn1C1CC1
InChIInChI=1S/C13H21N3O3S/c1-9(2)5-6-15-13(17)12-7-11(20(14,18)19)8-16(12)10-3-4-10/h7-10H,3-6H2,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyZSXGIBCHCWFNDK-UHFFFAOYSA-N
XLogP1.25
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611999
1-cyclobutyl-N-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611983
N-(cyclopentylmethyl)-1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612168
1-cyclopropyl-N-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612118
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612010
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610992
1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612371
4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 113493826
1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611595
N-cyclopropyl-1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114611940

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide (CID 114611971) is 1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide is CC(C)CCNC(=O)c1cc(S(N)(=O)=O)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is ZSXGIBCHCWFNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)5-6-15-13(17)12-7-11(20(14,18)19)8-16(12)10-3-4-10/h7-10H,3-6H2,1-2H3,(H,15,17)(H2,14,18,19).
What are the key properties of 1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide?
1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114611971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).