N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide

C14H23NO3S — CID 111485302

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC(C)(O)CCC(C)C
InChIInChI=1S/C14H23NO3S/c1-10(2)5-7-14(3,17)9-15-13(16)12-11(18-4)6-8-19-12/h6,8,10,17H,5,7,9H2,1-4H3,(H,15,16)
InChIKeyZNOXRRYHRNGGNX-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.67
Rot. Bonds7

About N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide

N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide (PubChem CID 111485302) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide
PubChem CID111485302
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC(C)(O)CCC(C)C
InChIInChI=1S/C14H23NO3S/c1-10(2)5-7-14(3,17)9-15-13(16)12-11(18-4)6-8-19-12/h6,8,10,17H,5,7,9H2,1-4H3,(H,15,16)
InChIKeyZNOXRRYHRNGGNX-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(2-hydroxy-2,5-dimethylhexyl)thiophene-2-carboxamide
CID 111485433
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121
N-[2-(chloromethyl)-2-ethylbutyl]-3-methoxythiophene-2-carboxamide
CID 106253944
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
CID 111335366
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxythiophene-2-carboxamide
CID 106355861
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate
CID 78945933
3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485450

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide (CID 111485302) is N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCC(C)(O)CCC(C)C.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is ZNOXRRYHRNGGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(2)5-7-14(3,17)9-15-13(16)12-11(18-4)6-8-19-12/h6,8,10,17H,5,7,9H2,1-4H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide?
N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 111485302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).