N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C16H20N2OS — CID 114550410

IUPACN-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2sccc2-n2cccc2)C1
InChIInChI=1S/C16H20N2OS/c1-16(2)7-5-12(11-16)17-15(19)14-13(6-10-20-14)18-8-3-4-9-18/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,17,19)
InChIKeySAJSDGHRZWEWGW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.85
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 114550410) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID114550410
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2sccc2-n2cccc2)C1
InChIInChI=1S/C16H20N2OS/c1-16(2)7-5-12(11-16)17-15(19)14-13(6-10-20-14)18-8-3-4-9-18/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,17,19)
InChIKeySAJSDGHRZWEWGW-UHFFFAOYSA-N
XLogP3.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 114550410) is N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide is CC1(C)CCC(NC(=O)c2sccc2-n2cccc2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is SAJSDGHRZWEWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-16(2)7-5-12(11-16)17-15(19)14-13(6-10-20-14)18-8-3-4-9-18/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,17,19).
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 114550410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).