2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide

C17H27NO2S — CID 2915555

IUPAC2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C17H27NO2S/c1-12(2)7-6-8-13(3)18-17(19)15-10-9-14(21-5)11-16(15)20-4/h9-13H,6-8H2,1-5H3,(H,18,19)
InChIKeyHUVTWJOKQBGTGW-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.36
Rot. Bonds8

About 2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide

2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide (PubChem CID 2915555) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide
PubChem CID2915555
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C17H27NO2S/c1-12(2)7-6-8-13(3)18-17(19)15-10-9-14(21-5)11-16(15)20-4/h9-13H,6-8H2,1-5H3,(H,18,19)
InChIKeyHUVTWJOKQBGTGW-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide
CID 885094
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 2287612
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 26907621
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
4,5-dimethoxy-N-[(2R)-6-methylheptan-2-yl]-2-nitrobenzamide
CID 7297448
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
CID 670832
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
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 3515829
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide?
The IUPAC name of 2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide (CID 2915555) is 2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide.
What is the SMILES notation for 2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide?
The canonical SMILES for 2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)NC(C)CCCC(C)C.
What is the InChIKey of 2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide?
The InChIKey is HUVTWJOKQBGTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-12(2)7-6-8-13(3)18-17(19)15-10-9-14(21-5)11-16(15)20-4/h9-13H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide?
2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide has a molecular weight of 309.48 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 2915555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).