4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide

C15H23NO3S — CID 96539780

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)N[C@@H](C)CCCO)c(C)s1
InChIInChI=1S/C15H23NO3S/c1-10(5-4-8-17)16-15(19)7-6-14(18)13-9-11(2)20-12(13)3/h9-10,17H,4-8H2,1-3H3,(H,16,19)/t10-/m0/s1
InChIKeyHUPAIPMCYGGVGS-JTQLQIEISA-N
MW297.42 g/mol
LogP2.61
Rot. Bonds8

About 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide (PubChem CID 96539780) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide
PubChem CID96539780
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)N[C@@H](C)CCCO)c(C)s1
InChIInChI=1S/C15H23NO3S/c1-10(5-4-8-17)16-15(19)7-6-14(18)13-9-11(2)20-12(13)3/h9-10,17H,4-8H2,1-3H3,(H,16,19)/t10-/m0/s1
InChIKeyHUPAIPMCYGGVGS-JTQLQIEISA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide 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-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 119586839
N-[4-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]phenyl]-3-methylbutanamide
CID 33031537
4-(2,5-dimethylthiophen-3-yl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431451
N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
CID 119383494
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 18116511
4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31556372
4-(2,5-dimethylthiophen-3-yl)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31556368
N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 7478580
4-(2,5-dimethylthiophen-3-yl)-N-(2-hydroxyphenyl)-4-oxobutanamide
CID 24535621
N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
CID 119522912
4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27700487

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide (CID 96539780) is 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide is Cc1cc(C(=O)CCC(=O)N[C@@H](C)CCCO)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide?
The InChIKey is HUPAIPMCYGGVGS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10(5-4-8-17)16-15(19)7-6-14(18)13-9-11(2)20-12(13)3/h9-10,17H,4-8H2,1-3H3,(H,16,19)/t10-/m0/s1.
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide has a molecular weight of 297.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide is sourced from PubChem (CID 96539780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).