2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C17H15ClN2O2S2 — CID 134007750

IUPAC2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSCc1cc(-c2ccc(Cl)cc2)no1)NCc1cccs1
InChIInChI=1S/C17H15ClN2O2S2/c18-13-5-3-12(4-6-13)16-8-14(22-20-16)10-23-11-17(21)19-9-15-2-1-7-24-15/h1-8H,9-11H2,(H,19,21)
InChIKeyLWHPQGQJVZLHTO-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.61
Rot. Bonds7

About 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 134007750) has the molecular formula C17H15ClN2O2S2 and a molecular weight of 378.91 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID134007750
Molecular FormulaC17H15ClN2O2S2
Molecular Weight378.91 g/mol
Exact Mass378.03
IUPAC Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSCc1cc(-c2ccc(Cl)cc2)no1)NCc1cccs1
InChIInChI=1S/C17H15ClN2O2S2/c18-13-5-3-12(4-6-13)16-8-14(22-20-16)10-23-11-17(21)19-9-15-2-1-7-24-15/h1-8H,9-11H2,(H,19,21)
InChIKeyLWHPQGQJVZLHTO-UHFFFAOYSA-N
XLogP4.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20860257
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 51219329
2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4304622
N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8569586
2-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 46396840
3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 860036
2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885294
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 41422213
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899204
2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 112782231
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20867703
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 51168973

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 134007750) is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CSCc1cc(-c2ccc(Cl)cc2)no1)NCc1cccs1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LWHPQGQJVZLHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S2/c18-13-5-3-12(4-6-13)16-8-14(22-20-16)10-23-11-17(21)19-9-15-2-1-7-24-15/h1-8H,9-11H2,(H,19,21).
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 378.91 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 134007750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).