2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide

C16H23ClN2OS — CID 112843140

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide
SMILESO=C(CSc1ccc(Cl)cn1)NCCCC1CCCCC1
InChIInChI=1S/C16H23ClN2OS/c17-14-8-9-16(19-11-14)21-12-15(20)18-10-4-7-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,12H2,(H,18,20)
InChIKeyZZWQQXSPLUUOJL-UHFFFAOYSA-N
MW326.89 g/mol
LogP4.30
Rot. Bonds7

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide (PubChem CID 112843140) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide
PubChem CID112843140
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide
SMILESO=C(CSc1ccc(Cl)cn1)NCCCC1CCCCC1
InChIInChI=1S/C16H23ClN2OS/c17-14-8-9-16(19-11-14)21-12-15(20)18-10-4-7-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,12H2,(H,18,20)
InChIKeyZZWQQXSPLUUOJL-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 112815574
N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 134050125
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
CID 114136466
N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 32941899
6-chloro-N-(3-cyclohexylpropyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 165414128
5-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018
2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide
CID 38335877
3-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]propanoic acid
CID 119140122
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
CID 112789122

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide (CID 112843140) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide is O=C(CSc1ccc(Cl)cn1)NCCCC1CCCCC1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide?
The InChIKey is ZZWQQXSPLUUOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c17-14-8-9-16(19-11-14)21-12-15(20)18-10-4-7-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,12H2,(H,18,20).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide has a molecular weight of 326.89 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide is sourced from PubChem (CID 112843140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).