5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide

C13H20N2O3S — CID 103919192

IUPAC5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCCCCO)s1
InChIInChI=1S/C13H20N2O3S/c1-10(17)15-12-7-6-11(19-12)13(18)14-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,14,18)(H,15,17)
InChIKeyLEYMDLPLRMZZJS-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.99
Rot. Bonds8

About 5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide

5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide (PubChem CID 103919192) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide
PubChem CID103919192
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCCCCO)s1
InChIInChI=1S/C13H20N2O3S/c1-10(17)15-12-7-6-11(19-12)13(18)14-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,14,18)(H,15,17)
InChIKeyLEYMDLPLRMZZJS-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(piperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480858
5-(4-methylpiperazin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480860
N-[5-(azocane-1-carbonyl)thiophen-2-yl]acetamide
CID 41294578
N-[5-(azepane-1-carbonyl)thiophen-2-yl]acetamide
CID 41360326
N-propyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 44480863
5-morpholin-4-yl-N-propylthiophene-2-carboxamide
CID 44481102
5-acetamido-N-cyclopropylthiophene-2-carboxamide
CID 24605414
5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide
CID 164603594
5-Acetami-do-2-acetylthiophene
CID 12813871
5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 18129589
5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103723102
5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103726181

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide (CID 103919192) is 5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NCCCCCCO)s1.
What is the InChIKey of 5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide?
The InChIKey is LEYMDLPLRMZZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(17)15-12-7-6-11(19-12)13(18)14-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide?
5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide is sourced from PubChem (CID 103919192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).