2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide

C17H20N2O2S — CID 125156538

IUPAC2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide
SMILESCC(=O)c1cc(CC(=O)N[C@H](c2cccnc2)C(C)C)cs1
InChIInChI=1S/C17H20N2O2S/c1-11(2)17(14-5-4-6-18-9-14)19-16(21)8-13-7-15(12(3)20)22-10-13/h4-7,9-11,17H,8H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyPQGRSQBVOQCYJX-KRWDZBQOSA-N
MW316.43 g/mol
LogP3.40
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide

2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide (PubChem CID 125156538) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide
PubChem CID125156538
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide
SMILESCC(=O)c1cc(CC(=O)N[C@H](c2cccnc2)C(C)C)cs1
InChIInChI=1S/C17H20N2O2S/c1-11(2)17(14-5-4-6-18-9-14)19-16(21)8-13-7-15(12(3)20)22-10-13/h4-7,9-11,17H,8H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyPQGRSQBVOQCYJX-KRWDZBQOSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide 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

4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
CID 118783705
3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide
CID 99953701
2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide
CID 131913983
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 125164687
N-(2-methyl-1-pyridin-3-ylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118773371
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
CID 40953428
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-methyl-1-pyridin-3-ylpropyl)acetamide
CID 118782710

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide (CID 125156538) is 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide is CC(=O)c1cc(CC(=O)N[C@H](c2cccnc2)C(C)C)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide?
The InChIKey is PQGRSQBVOQCYJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11(2)17(14-5-4-6-18-9-14)19-16(21)8-13-7-15(12(3)20)22-10-13/h4-7,9-11,17H,8H2,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide is sourced from PubChem (CID 125156538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).