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

C20H17ClN2OS — CID 57325681

IUPAC4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2sccc2C1c1ccccc1Cl
InChIInChI=1S/C20H17ClN2OS/c21-17-9-5-4-8-15(17)19-16-11-13-25-18(16)10-12-23(19)20(24)22-14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2,(H,22,24)
InChIKeyRUVFWXBRYJFCTA-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.58
Rot. Bonds2

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

4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 57325681) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID57325681
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2sccc2C1c1ccccc1Cl
InChIInChI=1S/C20H17ClN2OS/c21-17-9-5-4-8-15(17)19-16-11-13-25-18(16)10-12-23(19)20(24)22-14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2,(H,22,24)
InChIKeyRUVFWXBRYJFCTA-UHFFFAOYSA-N
XLogP5.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 57325681) is 4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccccc1)N1CCc2sccc2C1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is RUVFWXBRYJFCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-17-9-5-4-8-15(17)19-16-11-13-25-18(16)10-12-23(19)20(24)22-14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2,(H,22,24).
What are the key properties of 4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 368.89 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 57325681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).