5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide

C17H22N2OS2 — CID 3573521

IUPAC5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)C(c2cccs2)N2CCCC2)s1
InChIInChI=1S/C17H22N2OS2/c1-12-7-8-15(22-12)17(20)18-13(2)16(14-6-5-11-21-14)19-9-3-4-10-19/h5-8,11,13,16H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyWSZYXNJFDLZEKL-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.07
Rot. Bonds5

About 5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide

5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 3573521) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
PubChem CID3573521
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC Name5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)C(c2cccs2)N2CCCC2)s1
InChIInChI=1S/C17H22N2OS2/c1-12-7-8-15(22-12)17(20)18-13(2)16(14-6-5-11-21-14)19-9-3-4-10-19/h5-8,11,13,16H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyWSZYXNJFDLZEKL-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide (CID 3573521) is 5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide is Cc1ccc(C(=O)NC(C)C(c2cccs2)N2CCCC2)s1.
What is the InChIKey of 5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is WSZYXNJFDLZEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-12-7-8-15(22-12)17(20)18-13(2)16(14-6-5-11-21-14)19-9-3-4-10-19/h5-8,11,13,16H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of 5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 334.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3573521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).