N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide

C16H20N2OS — CID 46987109

IUPACN-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2ccc[nH]2)C2CCCC2)s1
InChIInChI=1S/C16H20N2OS/c1-12-8-9-14(20-12)11-18(13-5-2-3-6-13)16(19)15-7-4-10-17-15/h4,7-10,13,17H,2-3,5-6,11H2,1H3
InChIKeyGMJJXXHRCBCGRB-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.97
Rot. Bonds4

About N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide

N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 46987109) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID46987109
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2ccc[nH]2)C2CCCC2)s1
InChIInChI=1S/C16H20N2OS/c1-12-8-9-14(20-12)11-18(13-5-2-3-6-13)16(19)15-7-4-10-17-15/h4,7-10,13,17H,2-3,5-6,11H2,1H3
InChIKeyGMJJXXHRCBCGRB-UHFFFAOYSA-N
XLogP3.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide (CID 46987109) is N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide is Cc1ccc(CN(C(=O)c2ccc[nH]2)C2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GMJJXXHRCBCGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-8-9-14(20-12)11-18(13-5-2-3-6-13)16(19)15-7-4-10-17-15/h4,7-10,13,17H,2-3,5-6,11H2,1H3.
What are the key properties of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide?
N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46987109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).