N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide

C19H23FN2OS — CID 852250

IUPACN-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide
SMILESCc1sc(NC(=O)c2ccccc2F)c(CN2CCCCC2)c1C
InChIInChI=1S/C19H23FN2OS/c1-13-14(2)24-19(16(13)12-22-10-6-3-7-11-22)21-18(23)15-8-4-5-9-17(15)20/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,21,23)
InChIKeyBPHUVPJEWMUIOT-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.74
Rot. Bonds4

About N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide

N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide (PubChem CID 852250) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide
PubChem CID852250
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC NameN-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide
SMILESCc1sc(NC(=O)c2ccccc2F)c(CN2CCCCC2)c1C
InChIInChI=1S/C19H23FN2OS/c1-13-14(2)24-19(16(13)12-22-10-6-3-7-11-22)21-18(23)15-8-4-5-9-17(15)20/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,21,23)
InChIKeyBPHUVPJEWMUIOT-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
CID 766948
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 700253
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
2-(3-Methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 690904
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675164
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597271
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-fluorobenzamide
CID 579429
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802
N-[(3-cyano-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamothioyl]benzamide
CID 1130140

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide (CID 852250) is N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide is Cc1sc(NC(=O)c2ccccc2F)c(CN2CCCCC2)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide?
The InChIKey is BPHUVPJEWMUIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-13-14(2)24-19(16(13)12-22-10-6-3-7-11-22)21-18(23)15-8-4-5-9-17(15)20/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,21,23).
What are the key properties of N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide?
N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide has a molecular weight of 346.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 852250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).