N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

C20H20N2O3S — CID 2986623

IUPACN-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1
InChIInChI=1S/C20H20N2O3S/c23-19-15(11-14-5-1-2-7-17(14)21-19)12-22(13-16-6-3-9-25-16)20(24)18-8-4-10-26-18/h1-2,4-5,7-8,10-11,16H,3,6,9,12-13H2,(H,21,23)
InChIKeySUZJJILOIKYEER-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.41
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 2986623) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID2986623
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1
InChIInChI=1S/C20H20N2O3S/c23-19-15(11-14-5-1-2-7-17(14)21-19)12-22(13-16-6-3-9-25-16)20(24)18-8-4-10-26-18/h1-2,4-5,7-8,10-11,16H,3,6,9,12-13H2,(H,21,23)
InChIKeySUZJJILOIKYEER-UHFFFAOYSA-N
XLogP3.41
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]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 N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (CID 2986623) is N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is SUZJJILOIKYEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-19-15(11-14-5-1-2-7-17(14)21-19)12-22(13-16-6-3-9-25-16)20(24)18-8-4-10-26-18/h1-2,4-5,7-8,10-11,16H,3,6,9,12-13H2,(H,21,23).
What are the key properties of N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 2986623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).