2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

C16H17ClN2OS — CID 112815555

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C16H17ClN2OS/c1-12(2)19(14-6-4-3-5-7-14)16(20)11-21-15-9-8-13(17)10-18-15/h3-10,12H,11H2,1-2H3
InChIKeyIGAOUPWNCVUPDN-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.27
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 112815555) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID112815555
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C16H17ClN2OS/c1-12(2)19(14-6-4-3-5-7-14)16(20)11-21-15-9-8-13(17)10-18-15/h3-10,12H,11H2,1-2H3
InChIKeyIGAOUPWNCVUPDN-UHFFFAOYSA-N
XLogP4.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7624644
2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 47095379
N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
CID 2371257
2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 149151907
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 112843143
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 55309277
N-phenyl-N-propan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558393
2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 79128558
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 112815720
5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
CID 68835551
N-phenyl-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 60549343
2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 21179427

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (CID 112815555) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CSc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is IGAOUPWNCVUPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-12(2)19(14-6-4-3-5-7-14)16(20)11-21-15-9-8-13(17)10-18-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 320.85 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 112815555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).