2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide

C19H20F2N2O2S — CID 24504561

IUPAC2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide
SMILESCC1c2ccsc2CCN1C(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O2S/c1-12-14-7-10-26-17(14)6-9-23(12)18(24)3-2-8-22-19(25)15-5-4-13(20)11-16(15)21/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,22,25)
InChIKeySSGSKHCFYZVCHY-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.68
Rot. Bonds5

About 2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide

2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide (PubChem CID 24504561) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide
PubChem CID24504561
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC Name2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide
SMILESCC1c2ccsc2CCN1C(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O2S/c1-12-14-7-10-26-17(14)6-9-23(12)18(24)3-2-8-22-19(25)15-5-4-13(20)11-16(15)21/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,22,25)
InChIKeySSGSKHCFYZVCHY-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
CID 8949001
5-chloro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
CID 54916161
4-bromo-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
CID 8949400
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 119411680
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
CID 134020823
N-[4-[4-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide;hydrochloride
CID 119423550
2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide
CID 55428509
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 119485573
(4R)-4-methyl-N-(4-methylpentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 97024976

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide (CID 24504561) is 2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide is CC1c2ccsc2CCN1C(=O)CCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide?
The InChIKey is SSGSKHCFYZVCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c1-12-14-7-10-26-17(14)6-9-23(12)18(24)3-2-8-22-19(25)15-5-4-13(20)11-16(15)21/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,22,25).
What are the key properties of 2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide has a molecular weight of 378.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide is sourced from PubChem (CID 24504561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).