N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide

C14H23N3O3S — CID 114612108

IUPACN-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)N(C)C1CCCC1
InChIInChI=1S/C14H23N3O3S/c1-3-8-17-10-12(21(15,19)20)9-13(17)14(18)16(2)11-6-4-5-7-11/h9-11H,3-8H2,1-2H3,(H2,15,19,20)
InChIKeyIHAJCAKLLQTOCW-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.56
Rot. Bonds5

About N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide

N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612108) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612108
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)N(C)C1CCCC1
InChIInChI=1S/C14H23N3O3S/c1-3-8-17-10-12(21(15,19)20)9-13(17)14(18)16(2)11-6-4-5-7-11/h9-11H,3-8H2,1-2H3,(H2,15,19,20)
InChIKeyIHAJCAKLLQTOCW-UHFFFAOYSA-N
XLogP1.56
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612217
N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65387791
N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612236
cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612665
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide
CID 43641814
N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612598
1-ethyl-N-methyl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612124
5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide
CID 103540961
5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
N-(azetidin-3-yl)-4-bromo-N-methyl-1-propylpyrrole-2-carboxamide
CID 66187541
2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612702

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide (CID 114612108) is N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide is CCCn1cc(S(N)(=O)=O)cc1C(=O)N(C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is IHAJCAKLLQTOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-8-17-10-12(21(15,19)20)9-13(17)14(18)16(2)11-6-4-5-7-11/h9-11H,3-8H2,1-2H3,(H2,15,19,20).
What are the key properties of N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).