N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

C13H23N3O3S — CID 102915536

IUPACN-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCC(C)C(CNC(=O)c1cc(S(N)(=O)=O)c[nH]1)C(C)C
InChIInChI=1S/C13H23N3O3S/c1-8(2)11(9(3)4)7-16-13(17)12-5-10(6-15-12)20(14,18)19/h5-6,8-9,11,15H,7H2,1-4H3,(H,16,17)(H2,14,18,19)
InChIKeyRIUFAKIQAWQGQL-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.32
Rot. Bonds6

About N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 102915536) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID102915536
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCC(C)C(CNC(=O)c1cc(S(N)(=O)=O)c[nH]1)C(C)C
InChIInChI=1S/C13H23N3O3S/c1-8(2)11(9(3)4)7-16-13(17)12-5-10(6-15-12)20(14,18)19/h5-6,8-9,11,15H,7H2,1-4H3,(H,16,17)(H2,14,18,19)
InChIKeyRIUFAKIQAWQGQL-UHFFFAOYSA-N
XLogP1.32
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 115408908
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375173
N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65380794
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-[(3E)-penta-1,3-dien-3-yl]-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 126493606
N-(2-methylcyclopropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386729
3-methylbutyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65380855
4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 65386759
N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388887

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 102915536) is N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is CC(C)C(CNC(=O)c1cc(S(N)(=O)=O)c[nH]1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is RIUFAKIQAWQGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-8(2)11(9(3)4)7-16-13(17)12-5-10(6-15-12)20(14,18)19/h5-6,8-9,11,15H,7H2,1-4H3,(H,16,17)(H2,14,18,19).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 102915536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).