N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide

C20H20N2OS2 — CID 55762467

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCc3sccc3C2)c(C)s1
InChIInChI=1S/C20H20N2OS2/c1-13-11-16(14(2)25-13)20(23)21-17-5-3-4-6-18(17)22-9-7-19-15(12-22)8-10-24-19/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,21,23)
InChIKeyUKVGJVDGJZSYAA-UHFFFAOYSA-N
MW368.53 g/mol
LogP5.24
Rot. Bonds3

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 55762467) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID55762467
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCc3sccc3C2)c(C)s1
InChIInChI=1S/C20H20N2OS2/c1-13-11-16(14(2)25-13)20(23)21-17-5-3-4-6-18(17)22-9-7-19-15(12-22)8-10-24-19/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,21,23)
InChIKeyUKVGJVDGJZSYAA-UHFFFAOYSA-N
XLogP5.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,5-dimethylbenzamide
CID 55664010
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-fluoro-4-methyl-5-nitrobenzamide
CID 55777745
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55663124
1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide
CID 55873188
2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide
CID 55664221
(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 98732129
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]acetamide
CID 55762245
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide
CID 33071780
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 55762563
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 55762637

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide (CID 55762467) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2N2CCc3sccc3C2)c(C)s1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is UKVGJVDGJZSYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-13-11-16(14(2)25-13)20(23)21-17-5-3-4-6-18(17)22-9-7-19-15(12-22)8-10-24-19/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 55762467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).