N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide

C14H23N3O3S — CID 114612598

IUPACN-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)NC1CCC(C)C1
InChIInChI=1S/C14H23N3O3S/c1-3-6-17-9-12(21(15,19)20)8-13(17)14(18)16-11-5-4-10(2)7-11/h8-11H,3-7H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKeyKRDQCRKHXJEOOU-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.46
Rot. Bonds5

About N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide

N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612598) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612598
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)NC1CCC(C)C1
InChIInChI=1S/C14H23N3O3S/c1-3-6-17-9-12(21(15,19)20)8-13(17)14(18)16-11-5-4-10(2)7-11/h8-11H,3-7H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKeyKRDQCRKHXJEOOU-UHFFFAOYSA-N
XLogP1.46
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612665
1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612520
N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60739481
4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
CID 43642114
N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612108
N-(cyclopropylmethyl)-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612217
3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
CID 114549394
4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide
CID 60955169
1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide
CID 114612483
1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611929
5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide
CID 103540961
2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612702

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide (CID 114612598) is N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide is CCCn1cc(S(N)(=O)=O)cc1C(=O)NC1CCC(C)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is KRDQCRKHXJEOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-6-17-9-12(21(15,19)20)8-13(17)14(18)16-11-5-4-10(2)7-11/h8-11H,3-7H2,1-2H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).