N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide

C13H23N3O3S — CID 114612280

IUPACN-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCn1cc(S(N)(=O)=O)cc1C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C13H23N3O3S/c1-6-16-8-10(20(14,18)19)7-11(16)12(17)15(5)9-13(2,3)4/h7-8H,6,9H2,1-5H3,(H2,14,18,19)
InChIKeyNYKIOMXONLUWPL-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.27
Rot. Bonds4

About N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide

N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612280) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612280
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCn1cc(S(N)(=O)=O)cc1C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C13H23N3O3S/c1-6-16-8-10(20(14,18)19)7-11(16)12(17)15(5)9-13(2,3)4/h7-8H,6,9H2,1-5H3,(H2,14,18,19)
InChIKeyNYKIOMXONLUWPL-UHFFFAOYSA-N
XLogP1.27
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-methyl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612124
N-(cyclopropylmethyl)-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612217
N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612236
3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide
CID 65389265
N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612108
cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612676
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 114612465
N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612273
1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612371

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 114612280) is N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide is CCn1cc(S(N)(=O)=O)cc1C(=O)N(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is NYKIOMXONLUWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-6-16-8-10(20(14,18)19)7-11(16)12(17)15(5)9-13(2,3)4/h7-8H,6,9H2,1-5H3,(H2,14,18,19).
What are the key properties of N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).