4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide

C16H23NO2S — CID 97215389

IUPAC4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide
SMILESCOCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2SC)cc1
InChIInChI=1S/C16H23NO2S/c1-19-11-12-7-9-13(10-8-12)16(18)17-14-5-3-4-6-15(14)20-2/h7-10,14-15H,3-6,11H2,1-2H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyDGKIGCIFBGTWOC-GJZGRUSLSA-N
MW293.43 g/mol
LogP3.24
Rot. Bonds5

About 4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide

4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide (PubChem CID 97215389) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide
PubChem CID97215389
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide
SMILESCOCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2SC)cc1
InChIInChI=1S/C16H23NO2S/c1-19-11-12-7-9-13(10-8-12)16(18)17-14-5-3-4-6-15(14)20-2/h7-10,14-15H,3-6,11H2,1-2H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyDGKIGCIFBGTWOC-GJZGRUSLSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide (CID 97215389) is 4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide is COCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2SC)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide?
The InChIKey is DGKIGCIFBGTWOC-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-19-11-12-7-9-13(10-8-12)16(18)17-14-5-3-4-6-15(14)20-2/h7-10,14-15H,3-6,11H2,1-2H3,(H,17,18)/t14-,15-/m0/s1.
What are the key properties of 4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide?
4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide has a molecular weight of 293.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide is sourced from PubChem (CID 97215389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).