2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide

C16H17ClN2OS — CID 4208204

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cccnc1SCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-11(2)19-15(20)13-7-5-9-18-16(13)21-10-12-6-3-4-8-14(12)17/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyNEUKSQYONURWPQ-UHFFFAOYSA-N
MW320.84 g/mol
LogP4.17
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide

2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 4208204) has the molecular formula C16H17ClN2OS and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID4208204
Molecular FormulaC16H17ClN2OS
Molecular Weight320.84 g/mol
Exact Mass320.08
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cccnc1SCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-11(2)19-15(20)13-7-5-9-18-16(13)21-10-12-6-3-4-8-14(12)17/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyNEUKSQYONURWPQ-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 790421
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-pyridin-2-ylsulfanylethylamino)methyl]piperidin-1-yl]methanone
CID 132257069
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057
N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 571790
N-Benzyl-6-chloro-nicotinamide
CID 857488
N3-(4-methylbenzyl)-2-[(3-chlorophenyl)thio]nicotinamide
CID 2799786
N3-Benzyl-2-chloronicotinamide
CID 2794855
2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2457942
N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide
CID 2505911
N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2537444
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide
CID 4797191

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide (CID 4208204) is 2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cccnc1SCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is NEUKSQYONURWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-11(2)19-15(20)13-7-5-9-18-16(13)21-10-12-6-3-4-8-14(12)17/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 320.84 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 4208204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).