2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide

C16H15ClN2O2S2 — CID 9006299

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C16H15ClN2O2S2/c1-2-19(9-11-7-8-14(17)23-11)15(20)10-22-16-18-12-5-3-4-6-13(12)21-16/h3-8H,2,9-10H2,1H3
InChIKeyHBOPMTFKCOXTKX-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.68
Rot. Bonds6

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide (PubChem CID 9006299) has the molecular formula C16H15ClN2O2S2 and a molecular weight of 366.90 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
PubChem CID9006299
Molecular FormulaC16H15ClN2O2S2
Molecular Weight366.90 g/mol
Exact Mass366.03
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C16H15ClN2O2S2/c1-2-19(9-11-7-8-14(17)23-11)15(20)10-22-16-18-12-5-3-4-6-13(12)21-16/h3-8H,2,9-10H2,1H3
InChIKeyHBOPMTFKCOXTKX-UHFFFAOYSA-N
XLogP4.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
CID 17426578
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9290072
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 110886515
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethylacetamide
CID 55361145
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222095
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8577236
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide
CID 52888357
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55312472
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 8562149
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 62817204
2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 17403508
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 8600784

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide (CID 9006299) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide is CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The InChIKey is HBOPMTFKCOXTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S2/c1-2-19(9-11-7-8-14(17)23-11)15(20)10-22-16-18-12-5-3-4-6-13(12)21-16/h3-8H,2,9-10H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide has a molecular weight of 366.90 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide is sourced from PubChem (CID 9006299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).