2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide

C18H27NO2S — CID 43926556

IUPAC2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C18H27NO2S/c1-12-8-13(11-18(2,3)10-12)19-17(20)15-7-6-14(22-5)9-16(15)21-4/h6-7,9,12-13H,8,10-11H2,1-5H3,(H,19,20)
InChIKeySEAVOIJIMCQATK-UHFFFAOYSA-N
MW321.49 g/mol
LogP4.36
Rot. Bonds4

About 2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide

2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide (PubChem CID 43926556) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide
PubChem CID43926556
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C18H27NO2S/c1-12-8-13(11-18(2,3)10-12)19-17(20)15-7-6-14(22-5)9-16(15)21-4/h6-7,9,12-13H,8,10-11H2,1-5H3,(H,19,20)
InChIKeySEAVOIJIMCQATK-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide
CID 673811
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817
4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
CID 113467050
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
N-[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]adamantane-1-carboxamide
CID 2922181
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551
2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide
CID 3134403
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide (CID 43926556) is 2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide is COc1cc(SC)ccc1C(=O)NC1CC(C)CC(C)(C)C1.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide?
The InChIKey is SEAVOIJIMCQATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-12-8-13(11-18(2,3)10-12)19-17(20)15-7-6-14(22-5)9-16(15)21-4/h6-7,9,12-13H,8,10-11H2,1-5H3,(H,19,20).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide?
2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide has a molecular weight of 321.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide is sourced from PubChem (CID 43926556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).