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

C11H15ClN2OS — CID 47138570

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSc1ncccc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-8(2)6-14-10(15)7-16-11-9(12)4-3-5-13-11/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyZIQCGYUQWCEYQJ-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.60
Rot. Bonds5

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

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide (PubChem CID 47138570) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
PubChem CID47138570
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSc1ncccc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-8(2)6-14-10(15)7-16-11-9(12)4-3-5-13-11/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyZIQCGYUQWCEYQJ-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 47138557
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 53160901
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 46693728
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436
N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide
CID 55496429
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 51319417
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 71891405
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 24601997
N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 51319532
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
CID 47138508

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide (CID 47138570) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CSc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is ZIQCGYUQWCEYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-8(2)6-14-10(15)7-16-11-9(12)4-3-5-13-11/h3-5,8H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 258.77 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 47138570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).