N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide

C17H13ClN2OS2 — CID 10021460

IUPACN-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccsc1SCc1ccncc1
InChIInChI=1S/C17H13ClN2OS2/c18-13-1-3-14(4-2-13)20-16(21)15-7-10-22-17(15)23-11-12-5-8-19-9-6-12/h1-10H,11H2,(H,20,21)
InChIKeyJCQTXXXCJLVILV-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.34
Rot. Bonds5

About N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide

N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide (PubChem CID 10021460) has the molecular formula C17H13ClN2OS2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
PubChem CID10021460
Molecular FormulaC17H13ClN2OS2
Molecular Weight360.89 g/mol
Exact Mass360.02
IUPAC NameN-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccsc1SCc1ccncc1
InChIInChI=1S/C17H13ClN2OS2/c18-13-1-3-14(4-2-13)20-16(21)15-7-10-22-17(15)23-11-12-5-8-19-9-6-12/h1-10H,11H2,(H,20,21)
InChIKeyJCQTXXXCJLVILV-UHFFFAOYSA-N
XLogP5.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
CID 23093763
N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23093786
N-(3-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10316510
N-(4-fluoro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10451045
N-(3-chloro-4-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23093841
N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23094003
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10068612
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide
CID 19890959
N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10021972
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561
N-(4-chlorophenyl)-2-ethylsulfanyl-4-oxothiopyran-3-carboxamide
CID 102049177

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide (CID 10021460) is N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccsc1SCc1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide?
The InChIKey is JCQTXXXCJLVILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS2/c18-13-1-3-14(4-2-13)20-16(21)15-7-10-22-17(15)23-11-12-5-8-19-9-6-12/h1-10H,11H2,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide?
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide is sourced from PubChem (CID 10021460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).