4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide

C20H21N3O2S — CID 125439641

IUPAC4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide
SMILESCCC[C@H](NC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1)c1cccs1
InChIInChI=1S/C20H21N3O2S/c1-3-5-17(18-6-4-13-26-18)21-20(25)15-9-7-14(8-10-15)16-11-12-19(24)23(2)22-16/h4,6-13,17H,3,5H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyAPWUPBSGEXBCFS-KRWDZBQOSA-N
MW367.47 g/mol
LogP3.78
Rot. Bonds6

About 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide

4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide (PubChem CID 125439641) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide.

Molecular Properties

Compound Name4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide
PubChem CID125439641
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide
SMILESCCC[C@H](NC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1)c1cccs1
InChIInChI=1S/C20H21N3O2S/c1-3-5-17(18-6-4-13-26-18)21-20(25)15-9-7-14(8-10-15)16-11-12-19(24)23(2)22-16/h4,6-13,17H,3,5H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyAPWUPBSGEXBCFS-KRWDZBQOSA-N
XLogP3.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide
CID 178026796
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307
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
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 61381170
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide
CID 92869678
4-amino-1-ethyl-N-(1-thiophen-2-ylbutyl)pyrazole-5-carboxamide
CID 65358853
5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide
CID 61380869

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide?
The IUPAC name of 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide (CID 125439641) is 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide.
What is the SMILES notation for 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide?
The canonical SMILES for 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide is CCC[C@H](NC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1)c1cccs1.
What is the InChIKey of 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide?
The InChIKey is APWUPBSGEXBCFS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-5-17(18-6-4-13-26-18)21-20(25)15-9-7-14(8-10-15)16-11-12-19(24)23(2)22-16/h4,6-13,17H,3,5H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide?
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide is sourced from PubChem (CID 125439641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).