5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide

C20H18N2O2S — CID 16677418

IUPAC5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NC(c2ccncc2)c2ccccc2C)cs1
InChIInChI=1S/C20H18N2O2S/c1-13-5-3-4-6-17(13)19(15-7-9-21-10-8-15)22-20(24)16-11-18(14(2)23)25-12-16/h3-12,19H,1-2H3,(H,22,24)
InChIKeyWGPFVHVIUCTLAF-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.17
Rot. Bonds5

About 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide

5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide (PubChem CID 16677418) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide
PubChem CID16677418
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NC(c2ccncc2)c2ccccc2C)cs1
InChIInChI=1S/C20H18N2O2S/c1-13-5-3-4-6-17(13)19(15-7-9-21-10-8-15)22-20(24)16-11-18(14(2)23)25-12-16/h3-12,19H,1-2H3,(H,22,24)
InChIKeyWGPFVHVIUCTLAF-UHFFFAOYSA-N
XLogP4.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]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

5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 50976747
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 16677411
4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide
CID 99947108
5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51495923
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 132610512
4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 97187022
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
3-methoxy-2,2-dimethyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]propanamide
CID 118784920
2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 126423419
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide (CID 16677418) is 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)NC(c2ccncc2)c2ccccc2C)cs1.
What is the InChIKey of 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide?
The InChIKey is WGPFVHVIUCTLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-13-5-3-4-6-17(13)19(15-7-9-21-10-8-15)22-20(24)16-11-18(14(2)23)25-12-16/h3-12,19H,1-2H3,(H,22,24).
What are the key properties of 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide?
5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide is sourced from PubChem (CID 16677418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).