N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide

C16H16N2OS — CID 2728424

IUPACN-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccc(Sc2ncccc2NC(=O)C2CC2)cc1
InChIInChI=1S/C16H16N2OS/c1-11-4-8-13(9-5-11)20-16-14(3-2-10-17-16)18-15(19)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,18,19)
InChIKeyWKLJKKLAPOHJTP-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.89
Rot. Bonds4

About N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide

N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 2728424) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide
PubChem CID2728424
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccc(Sc2ncccc2NC(=O)C2CC2)cc1
InChIInChI=1S/C16H16N2OS/c1-11-4-8-13(9-5-11)20-16-14(3-2-10-17-16)18-15(19)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,18,19)
InChIKeyWKLJKKLAPOHJTP-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129868
N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129880
1-(4-methylphenyl)-3-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3-pyridinyl]urea
CID 91474794
(3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897056
N-(3-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129879
N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129863
(3R)-N-(2,5-dimethylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884222
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38326707
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 95092282
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834360
4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674408
N-(2-methyl-3-pyridinyl)azetidine-3-carboxamide
CID 79044396

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide (CID 2728424) is N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide is Cc1ccc(Sc2ncccc2NC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is WKLJKKLAPOHJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-4-8-13(9-5-11)20-16-14(3-2-10-17-16)18-15(19)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide?
N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 2728424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).