N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide

C17H25NO2S — CID 65120362

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)NCC2(O)CCC(C)CC2)c1
InChIInChI=1S/C17H25NO2S/c1-13-6-8-17(20,9-7-13)12-18-16(19)15-5-3-4-14(10-15)11-21-2/h3-5,10,13,20H,6-9,11-12H2,1-2H3,(H,18,19)
InChIKeyUQMHEWDMFIBTCJ-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.22
Rot. Bonds5

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide (PubChem CID 65120362) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide
PubChem CID65120362
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)NCC2(O)CCC(C)CC2)c1
InChIInChI=1S/C17H25NO2S/c1-13-6-8-17(20,9-7-13)12-18-16(19)15-5-3-4-14(10-15)11-21-2/h3-5,10,13,20H,6-9,11-12H2,1-2H3,(H,18,19)
InChIKeyUQMHEWDMFIBTCJ-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
CID 65124255
3-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]benzoic acid
CID 103253182
3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111463021
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 65118691
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 65118974
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-indazole-6-carboxamide
CID 65119013
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65119825
N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide
CID 9327285
3-(methylsulfanylmethyl)-N-prop-2-enylbenzamide
CID 60667719
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide (CID 65120362) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide is CSCc1cccc(C(=O)NCC2(O)CCC(C)CC2)c1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide?
The InChIKey is UQMHEWDMFIBTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-13-6-8-17(20,9-7-13)12-18-16(19)15-5-3-4-14(10-15)11-21-2/h3-5,10,13,20H,6-9,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide has a molecular weight of 307.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 65120362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).