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

C10H15NO3S — CID 106843518

IUPACN-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCCCO)c1
InChIInChI=1S/C10H15NO3S/c1-14-8-6-9(15-7-8)10(13)11-4-2-3-5-12/h6-7,12H,2-5H2,1H3,(H,11,13)
InChIKeyLNVWTCXMDRQFGA-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.26
Rot. Bonds6

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

N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide (PubChem CID 106843518) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
PubChem CID106843518
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCCCO)c1
InChIInChI=1S/C10H15NO3S/c1-14-8-6-9(15-7-8)10(13)11-4-2-3-5-12/h6-7,12H,2-5H2,1H3,(H,11,13)
InChIKeyLNVWTCXMDRQFGA-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 103800830
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
CID 107847519
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 113258486
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472
N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide
CID 81121283
4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 79465562
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide (CID 106843518) is N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCCCCO)c1.
What is the InChIKey of N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is LNVWTCXMDRQFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-14-8-6-9(15-7-8)10(13)11-4-2-3-5-12/h6-7,12H,2-5H2,1H3,(H,11,13).
What are the key properties of N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide?
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 106843518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).