N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide

C12H19NO3S — CID 111758309

IUPACN-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)N(C)CCC(C)O
InChIInChI=1S/C12H19NO3S/c1-8(14)5-6-13(3)12(15)11-10(16-4)7-9(2)17-11/h7-8,14H,5-6H2,1-4H3
InChIKeyGCPGQUGGPSGNAH-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.91
Rot. Bonds5

About N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide

N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide (PubChem CID 111758309) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide
PubChem CID111758309
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)N(C)CCC(C)O
InChIInChI=1S/C12H19NO3S/c1-8(14)5-6-13(3)12(15)11-10(16-4)7-9(2)17-11/h7-8,14H,5-6H2,1-4H3
InChIKeyGCPGQUGGPSGNAH-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 115673500
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465
4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
CID 115673354
3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
CID 103403296
5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695665
4-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173000
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 115731160
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691558
4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide
CID 113341456

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide (CID 111758309) is N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide is COc1cc(C)sc1C(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is GCPGQUGGPSGNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-8(14)5-6-13(3)12(15)11-10(16-4)7-9(2)17-11/h7-8,14H,5-6H2,1-4H3.
What are the key properties of N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide?
N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 257.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 111758309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).