N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide

C10H16N2O3S — CID 81119658

IUPACN-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCC(N)C(C)O)c1
InChIInChI=1S/C10H16N2O3S/c1-6(13)8(11)4-12-10(14)9-3-7(15-2)5-16-9/h3,5-6,8,13H,4,11H2,1-2H3,(H,12,14)
InChIKeyYJPPFFBWCBUWCP-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.19
Rot. Bonds5

About N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide

N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide (PubChem CID 81119658) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
PubChem CID81119658
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCC(N)C(C)O)c1
InChIInChI=1S/C10H16N2O3S/c1-6(13)8(11)4-12-10(14)9-3-7(15-2)5-16-9/h3,5-6,8,13H,4,11H2,1-2H3,(H,12,14)
InChIKeyYJPPFFBWCBUWCP-UHFFFAOYSA-N
XLogP0.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
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
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid
CID 81127214
4-methoxy-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115410128
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide
CID 64540805
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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide (CID 81119658) is N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCC(N)C(C)O)c1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is YJPPFFBWCBUWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-6(13)8(11)4-12-10(14)9-3-7(15-2)5-16-9/h3,5-6,8,13H,4,11H2,1-2H3,(H,12,14).
What are the key properties of N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide?
N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81119658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).