N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide

C17H25NO3S — CID 2198008

IUPACN-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCSC2CCCCC2)c1
InChIInChI=1S/C17H25NO3S/c1-20-14-10-13(11-15(12-14)21-2)17(19)18-8-9-22-16-6-4-3-5-7-16/h10-12,16H,3-9H2,1-2H3,(H,18,19)
InChIKeyYRLVIDMQKIECEK-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.50
Rot. Bonds7

About N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide

N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide (PubChem CID 2198008) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide
PubChem CID2198008
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCSC2CCCCC2)c1
InChIInChI=1S/C17H25NO3S/c1-20-14-10-13(11-15(12-14)21-2)17(19)18-8-9-22-16-6-4-3-5-7-16/h10-12,16H,3-9H2,1-2H3,(H,18,19)
InChIKeyYRLVIDMQKIECEK-UHFFFAOYSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995
N-benzhydryl-3,5-dimethoxybenzamide
CID 873122
3,4,5-trimethoxy-N-[2-(phenylthio)ethyl]benzamide
CID 2992423
N-benzhydryl-3,5-dimethoxy-4-methylbenzamide
CID 4852309
N-[2-(1-cyclohexen-1-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 729877
N-[3-(4-{3-[(3,5-dimethoxybenzoyl)amino]propyl}-1-piperazinyl)propyl]-3,5-dimethoxybenzamide
CID 4077212
N,N'-hexane-1,6-diylbis(3,5-dimethoxybenzamide)
CID 5083548
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide
CID 841008
N-(3,3-diphenylpropyl)-3,5-dimethoxybenzamide
CID 1529542
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 2460037

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide (CID 2198008) is N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCSC2CCCCC2)c1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide?
The InChIKey is YRLVIDMQKIECEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-20-14-10-13(11-15(12-14)21-2)17(19)18-8-9-22-16-6-4-3-5-7-16/h10-12,16H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide?
N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide has a molecular weight of 323.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 2198008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).