4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide

C17H20N2O2S — CID 87041467

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide
SMILESCc1cccc(CNC(=O)CCC(=O)c2cc(C)sc2C)n1
InChIInChI=1S/C17H20N2O2S/c1-11-5-4-6-14(19-11)10-18-17(21)8-7-16(20)15-9-12(2)22-13(15)3/h4-6,9H,7-8,10H2,1-3H3,(H,18,21)
InChIKeyPANVIZDQIIDQCR-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.35
Rot. Bonds6

About 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide (PubChem CID 87041467) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide
PubChem CID87041467
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide
SMILESCc1cccc(CNC(=O)CCC(=O)c2cc(C)sc2C)n1
InChIInChI=1S/C17H20N2O2S/c1-11-5-4-6-14(19-11)10-18-17(21)8-7-16(20)15-9-12(2)22-13(15)3/h4-6,9H,7-8,10H2,1-3H3,(H,18,21)
InChIKeyPANVIZDQIIDQCR-UHFFFAOYSA-N
XLogP3.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-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-[[3-(diethylaminomethyl)phenyl]methyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 55855300
N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
CID 119383494
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
2,2-dimethyl-4-[(6-methyl-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 65300352
3-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62308912
N-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 2529350
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55858632
4-(2,5-dimethylthiophen-3-yl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431451
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27700487
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
CID 46518580
4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 87041312

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide (CID 87041467) is 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide is Cc1cccc(CNC(=O)CCC(=O)c2cc(C)sc2C)n1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide?
The InChIKey is PANVIZDQIIDQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-5-4-6-14(19-11)10-18-17(21)8-7-16(20)15-9-12(2)22-13(15)3/h4-6,9H,7-8,10H2,1-3H3,(H,18,21).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide has a molecular weight of 316.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 87041467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).