N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide

C12H17NO4S — CID 79465870

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCC2(O)CCOCC2)c1
InChIInChI=1S/C12H17NO4S/c1-16-9-6-10(18-7-9)11(14)13-8-12(15)2-4-17-5-3-12/h6-7,15H,2-5,8H2,1H3,(H,13,14)
InChIKeyLMCHCZJMERIDOU-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.03
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide (PubChem CID 79465870) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide
PubChem CID79465870
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCC2(O)CCOCC2)c1
InChIInChI=1S/C12H17NO4S/c1-16-9-6-10(18-7-9)11(14)13-8-12(15)2-4-17-5-3-12/h6-7,15H,2-5,8H2,1H3,(H,13,14)
InChIKeyLMCHCZJMERIDOU-UHFFFAOYSA-N
XLogP1.03
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-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

Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114758141
N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 119404435
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103712065
N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 90534226
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
CID 114168656
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 79465874
N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
CID 81119763
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide
CID 129397711
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114317317

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide (CID 79465870) is N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCC2(O)CCOCC2)c1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is LMCHCZJMERIDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-16-9-6-10(18-7-9)11(14)13-8-12(15)2-4-17-5-3-12/h6-7,15H,2-5,8H2,1H3,(H,13,14).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 79465870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).