N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide

C10H15NO3S — CID 115283653

IUPACN-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(C)CCO)c1
InChIInChI=1S/C10H15NO3S/c1-7(3-4-12)11-10(13)9-5-8(14-2)6-15-9/h5-7,12H,3-4H2,1-2H3,(H,11,13)
InChIKeyMVDHLXKNFONXIZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.26
Rot. Bonds5

About N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide

N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 115283653) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
PubChem CID115283653
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(C)CCO)c1
InChIInChI=1S/C10H15NO3S/c1-7(3-4-12)11-10(13)9-5-8(14-2)6-15-9/h5-7,12H,3-4H2,1-2H3,(H,11,13)
InChIKeyMVDHLXKNFONXIZ-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
CID 71865619
N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 107860185
4-methoxy-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115410128
(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
CID 107564238
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 81121736
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 81117804
N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 81119658
N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
CID 81118589
N-hex-5-yn-3-yl-4-methoxythiophene-2-carboxamide
CID 115670893

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide (CID 115283653) is N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC(C)CCO)c1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is MVDHLXKNFONXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7(3-4-12)11-10(13)9-5-8(14-2)6-15-9/h5-7,12H,3-4H2,1-2H3,(H,11,13).
What are the key properties of N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide?
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 115283653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).