5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide

C11H14ClNO2S — CID 110875873

IUPAC5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCOC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO2S/c1-13(6-8-4-5-15-7-8)11(14)9-2-3-10(12)16-9/h2-3,8H,4-7H2,1H3
InChIKeyVOCOIYTWPQROBX-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.51
Rot. Bonds3

About 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide

5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 110875873) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
PubChem CID110875873
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCOC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO2S/c1-13(6-8-4-5-15-7-8)11(14)9-2-3-10(12)16-9/h2-3,8H,4-7H2,1H3
InChIKeyVOCOIYTWPQROBX-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide (CID 110875873) is 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide is CN(CC1CCOC1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is VOCOIYTWPQROBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-13(6-8-4-5-15-7-8)11(14)9-2-3-10(12)16-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 110875873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).