N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide

C9H13NO3S — CID 81121281

IUPACN-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCC(C)O)c1
InChIInChI=1S/C9H13NO3S/c1-6(11)4-10-9(12)8-3-7(13-2)5-14-8/h3,5-6,11H,4H2,1-2H3,(H,10,12)
InChIKeyLKEWBILVZCHBPR-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.87
Rot. Bonds4

About N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide

N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide (PubChem CID 81121281) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
PubChem CID81121281
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCC(C)O)c1
InChIInChI=1S/C9H13NO3S/c1-6(11)4-10-9(12)8-3-7(13-2)5-14-8/h3,5-6,11H,4H2,1-2H3,(H,10,12)
InChIKeyLKEWBILVZCHBPR-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 81119658
N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
CID 81118589
N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
CID 114168656
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
4-amino-N-(2-hydroxypropyl)thiophene-2-carboxamide
CID 131183210
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid
CID 81127214
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
4-methoxy-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115410128
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
CID 71865619
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide (CID 81121281) is N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCC(C)O)c1.
What is the InChIKey of N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is LKEWBILVZCHBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6(11)4-10-9(12)8-3-7(13-2)5-14-8/h3,5-6,11H,4H2,1-2H3,(H,10,12).
What are the key properties of N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide?
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 215.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81121281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).