N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide

C13H20N2O3S — CID 111429071

IUPACN-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
SMILESCC(O)CCNC(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C13H20N2O3S/c1-10(16)4-7-14-12(17)3-2-6-15-13(18)11-5-8-19-9-11/h5,8-10,16H,2-4,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyHYAHRGYEKDDGEE-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.15
Rot. Bonds8

About N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide

N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 111429071) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
PubChem CID111429071
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
SMILESCC(O)CCNC(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C13H20N2O3S/c1-10(16)4-7-14-12(17)3-2-6-15-13(18)11-5-8-19-9-11/h5,8-10,16H,2-4,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyHYAHRGYEKDDGEE-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-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

N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 110887400
N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119506031
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18161073
N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 35417013
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
2-[4-(thiophene-3-carbonylamino)butanoylamino]butanoic acid
CID 119224156
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 46440747

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide (CID 111429071) is N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide is CC(O)CCNC(=O)CCCNC(=O)c1ccsc1.
What is the InChIKey of N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is HYAHRGYEKDDGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(16)4-7-14-12(17)3-2-6-15-13(18)11-5-8-19-9-11/h5,8-10,16H,2-4,6-7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide?
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 111429071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).