2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

C16H19ClN2O2S — CID 7963401

IUPAC2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C16H19ClN2O2S/c1-10-4-2-3-5-12(10)18-15(20)9-22-16-19-13-7-6-11(17)8-14(13)21-16/h6-8,10,12H,2-5,9H2,1H3,(H,18,20)/t10-,12-/m0/s1
InChIKeyDIBZGFCPVWVRDS-JQWIXIFHSA-N
MW338.86 g/mol
LogP4.27
Rot. Bonds4

About 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (PubChem CID 7963401) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
PubChem CID7963401
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C16H19ClN2O2S/c1-10-4-2-3-5-12(10)18-15(20)9-22-16-19-13-7-6-11(17)8-14(13)21-16/h6-8,10,12H,2-5,9H2,1H3,(H,18,20)/t10-,12-/m0/s1
InChIKeyDIBZGFCPVWVRDS-JQWIXIFHSA-N
XLogP4.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 890231
2-[[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 126350194
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7963348
2-[[5-(5-chloro-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 40989490
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 112779921
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3471205
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
CID 7963523
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 39965220
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7030511
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 51140007

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (CID 7963401) is 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccc(Cl)cc2o1.
What is the InChIKey of 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is DIBZGFCPVWVRDS-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-10-4-2-3-5-12(10)18-15(20)9-22-16-19-13-7-6-11(17)8-14(13)21-16/h6-8,10,12H,2-5,9H2,1H3,(H,18,20)/t10-,12-/m0/s1.
What are the key properties of 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 338.86 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7963401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).