N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

C16H16ClFN2OS — CID 17496951

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCC1c2ccsc2CCN1CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2OS/c1-10-12-5-7-22-15(12)4-6-20(10)9-16(21)19-11-2-3-14(18)13(17)8-11/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,19,21)
InChIKeyYKIGMHKBGXSQRH-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.10
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 17496951) has the molecular formula C16H16ClFN2OS and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID17496951
Molecular FormulaC16H16ClFN2OS
Molecular Weight338.84 g/mol
Exact Mass338.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCC1c2ccsc2CCN1CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2OS/c1-10-12-5-7-22-15(12)4-6-20(10)9-16(21)19-11-2-3-14(18)13(17)8-11/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,19,21)
InChIKeyYKIGMHKBGXSQRH-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 17496951) is N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is CC1c2ccsc2CCN1CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is YKIGMHKBGXSQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2OS/c1-10-12-5-7-22-15(12)4-6-20(10)9-16(21)19-11-2-3-14(18)13(17)8-11/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 338.84 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 17496951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).