N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide

C15H25NO2S — CID 103918925

IUPACN-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCCCCCCO)sc1C
InChIInChI=1S/C15H25NO2S/c1-3-8-13-11-14(19-12(13)2)15(18)16-9-6-4-5-7-10-17/h11,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyLPIJMHWTGDTOPA-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.29
Rot. Bonds9

About N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide

N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 103918925) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID103918925
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCCCCCCO)sc1C
InChIInChI=1S/C15H25NO2S/c1-3-8-13-11-14(19-12(13)2)15(18)16-9-6-4-5-7-10-17/h11,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyLPIJMHWTGDTOPA-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid
CID 43238441
2-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pentanoic acid
CID 104682696
7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
CID 43092885
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 114751448
N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 43391417
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
2,2-dimethyl-3-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 81369148
N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 65114379
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 54991565
4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide
CID 103899429

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide (CID 103918925) is N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NCCCCCCO)sc1C.
What is the InChIKey of N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is LPIJMHWTGDTOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-8-13-11-14(19-12(13)2)15(18)16-9-6-4-5-7-10-17/h11,17H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide?
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 103918925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).