N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide

C10H15NO2S — CID 111695384

IUPACN-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccsc1
InChIInChI=1S/C10H15NO2S/c1-8(12)3-5-11(2)10(13)9-4-6-14-7-9/h4,6-8,12H,3,5H2,1-2H3
InChIKeyJDPWSYWMIYBQNZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.59
Rot. Bonds4

About N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide

N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide (PubChem CID 111695384) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
PubChem CID111695384
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccsc1
InChIInChI=1S/C10H15NO2S/c1-8(12)3-5-11(2)10(13)9-4-6-14-7-9/h4,6-8,12H,3,5H2,1-2H3
InChIKeyJDPWSYWMIYBQNZ-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111695946
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
N,N-di(propan-2-yl)thiophene-3-carboxamide
CID 50896326
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
1-[(3R)-3-hydroxybutyl]-1-methyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 97324984
N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 115673500
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845
N-(3-hydroxybutyl)-N-methyl-3-sulfanylbenzamide
CID 107035726
4-bromo-N-(3-hydroxybutyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 115735357
3-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 111695800
4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 115673441

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide (CID 111695384) is N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide is CC(O)CCN(C)C(=O)c1ccsc1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide?
The InChIKey is JDPWSYWMIYBQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(12)3-5-11(2)10(13)9-4-6-14-7-9/h4,6-8,12H,3,5H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide?
N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide has a molecular weight of 213.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 111695384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).