4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide

C21H22N2O2S — CID 178026796

IUPAC4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(-c2ccc(=O)n(C)c2)cc1)c1cccs1
InChIInChI=1S/C21H22N2O2S/c1-3-5-18(19-6-4-13-26-19)22-21(25)16-9-7-15(8-10-16)17-11-12-20(24)23(2)14-17/h4,6-14,18H,3,5H2,1-2H3,(H,22,25)
InChIKeySOMJSHRHAHQYGN-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.39
Rot. Bonds6

About 4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide

4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide (PubChem CID 178026796) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide
PubChem CID178026796
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(-c2ccc(=O)n(C)c2)cc1)c1cccs1
InChIInChI=1S/C21H22N2O2S/c1-3-5-18(19-6-4-13-26-19)22-21(25)16-9-7-15(8-10-16)17-11-12-20(24)23(2)14-17/h4,6-14,18H,3,5H2,1-2H3,(H,22,25)
InChIKeySOMJSHRHAHQYGN-UHFFFAOYSA-N
XLogP4.39
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide
CID 125439641
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide
CID 95295495
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
1-methyl-N-(1-thiophen-2-ylbutyl)benzotriazole-5-carboxamide
CID 56753214
N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
CID 62907370
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide
CID 92869678
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 61381170

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide?
The IUPAC name of 4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide (CID 178026796) is 4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide.
What is the SMILES notation for 4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide?
The canonical SMILES for 4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide is CCCC(NC(=O)c1ccc(-c2ccc(=O)n(C)c2)cc1)c1cccs1.
What is the InChIKey of 4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide?
The InChIKey is SOMJSHRHAHQYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-3-5-18(19-6-4-13-26-19)22-21(25)16-9-7-15(8-10-16)17-11-12-20(24)23(2)14-17/h4,6-14,18H,3,5H2,1-2H3,(H,22,25).
What are the key properties of 4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide?
4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide is sourced from PubChem (CID 178026796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).