N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

C16H18N2OS — CID 4881057

IUPACN-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C16H18N2OS/c1-12-6-8-13(9-7-12)17-16(19)18-10-2-4-14(18)15-5-3-11-20-15/h3,5-9,11,14H,2,4,10H2,1H3,(H,17,19)
InChIKeyMGLKRZGPWICIIJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.43
Rot. Bonds2

About N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 4881057) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID4881057
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C16H18N2OS/c1-12-6-8-13(9-7-12)17-16(19)18-10-2-4-14(18)15-5-3-11-20-15/h3,5-9,11,14H,2,4,10H2,1H3,(H,17,19)
InChIKeyMGLKRZGPWICIIJ-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 4881057) is N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC2c2cccs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is MGLKRZGPWICIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12-6-8-13(9-7-12)17-16(19)18-10-2-4-14(18)15-5-3-11-20-15/h3,5-9,11,14H,2,4,10H2,1H3,(H,17,19).
What are the key properties of N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 4881057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).