N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C16H17ClN2OS — CID 42934643

IUPACN-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(NC(=O)N1CCc2sccc2C1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-11(13-4-2-3-5-14(13)17)18-16(20)19-8-6-15-12(10-19)7-9-21-15/h2-5,7,9,11H,6,8,10H2,1H3,(H,18,20)
InChIKeyOCIXVENQLBICGT-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.23
Rot. Bonds2

About N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 42934643) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID42934643
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(NC(=O)N1CCc2sccc2C1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-11(13-4-2-3-5-14(13)17)18-16(20)19-8-6-15-12(10-19)7-9-21-15/h2-5,7,9,11H,6,8,10H2,1H3,(H,18,20)
InChIKeyOCIXVENQLBICGT-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-one
CID 59985948
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696
5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 59078186
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-3-hydroxybutanoic acid
CID 61187266
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084695
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
CID 23106048
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylethanone
CID 13274794
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;methyl acetate
CID 68877762
methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;propan-2-one
CID 69368303
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrate;hydrochloride
CID 70104720
deuteriomethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 141350312
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103927461

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 42934643) is N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC(NC(=O)N1CCc2sccc2C1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is OCIXVENQLBICGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-11(13-4-2-3-5-14(13)17)18-16(20)19-8-6-15-12(10-19)7-9-21-15/h2-5,7,9,11H,6,8,10H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 320.85 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 42934643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).