N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C13H23N3O4S — CID 104625478

IUPACN-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCOCCC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C13H23N3O4S/c1-13(2,5-6-20-4)9-15-12(17)11-7-10(8-16(11)3)21(14,18)19/h7-8H,5-6,9H2,1-4H3,(H,15,17)(H2,14,18,19)
InChIKeyGYPVVYNTNVTAPG-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.47
Rot. Bonds7

About N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 104625478) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID104625478
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCOCCC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C13H23N3O4S/c1-13(2,5-6-20-4)9-15-12(17)11-7-10(8-16(11)3)21(14,18)19/h7-8H,5-6,9H2,1-4H3,(H,15,17)(H2,14,18,19)
InChIKeyGYPVVYNTNVTAPG-UHFFFAOYSA-N
XLogP0.47
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 104625478) is N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is COCCC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)cn1C.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is GYPVVYNTNVTAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-13(2,5-6-20-4)9-15-12(17)11-7-10(8-16(11)3)21(14,18)19/h7-8H,5-6,9H2,1-4H3,(H,15,17)(H2,14,18,19).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 104625478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).