5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide

C23H20N2O2S — CID 53134833

IUPAC5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3s2)cc1
InChIInChI=1S/C23H20N2O2S/c1-16-7-9-17(10-8-16)14-24-22(26)21-13-19-20(28-21)11-12-25(23(19)27)15-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyMVGRMMLLSNLMQK-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.35
Rot. Bonds5

About 5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide

5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53134833) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide
PubChem CID53134833
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3s2)cc1
InChIInChI=1S/C23H20N2O2S/c1-16-7-9-17(10-8-16)14-24-22(26)21-13-19-20(28-21)11-12-25(23(19)27)15-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyMVGRMMLLSNLMQK-UHFFFAOYSA-N
XLogP4.35
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6625783
4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9455401
5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one
CID 53134849
3-benzyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 90933176
5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
N-[(4-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906423
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 41311876
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide
CID 1485997
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate
CID 57399106
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide (CID 53134833) is 5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3s2)cc1.
What is the InChIKey of 5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is MVGRMMLLSNLMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-16-7-9-17(10-8-16)14-24-22(26)21-13-19-20(28-21)11-12-25(23(19)27)15-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of 5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide?
5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53134833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).