N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide

C18H15ClN2OS2 — CID 23094003

IUPACN-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2SCc2ccncc2)ccc1Cl
InChIInChI=1S/C18H15ClN2OS2/c1-12-10-14(2-3-15(12)19)21-18(22)17-16(6-9-23-17)24-11-13-4-7-20-8-5-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyDYTUYSZSZPISEK-UHFFFAOYSA-N
MW374.92 g/mol
LogP5.65
Rot. Bonds5

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

N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide (PubChem CID 23094003) has the molecular formula C18H15ClN2OS2 and a molecular weight of 374.92 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
PubChem CID23094003
Molecular FormulaC18H15ClN2OS2
Molecular Weight374.92 g/mol
Exact Mass374.03
IUPAC NameN-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2SCc2ccncc2)ccc1Cl
InChIInChI=1S/C18H15ClN2OS2/c1-12-10-14(2-3-15(12)19)21-18(22)17-16(6-9-23-17)24-11-13-4-7-20-8-5-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyDYTUYSZSZPISEK-UHFFFAOYSA-N
XLogP5.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.92
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23093841
N-(4-fluoro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10451045
N-(3-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10316510
N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10021972
N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23093786
N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10068612
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
CID 10021460
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
CID 23093763
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-(3-amino-4-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644063

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide (CID 23094003) is N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2sccc2SCc2ccncc2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
The InChIKey is DYTUYSZSZPISEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS2/c1-12-10-14(2-3-15(12)19)21-18(22)17-16(6-9-23-17)24-11-13-4-7-20-8-5-13/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide has a molecular weight of 374.92 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide is sourced from PubChem (CID 23094003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).