2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C19H21NO2S — CID 3377458

IUPAC2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C19H21NO2S/c1-22-18-12-14(23-2)10-11-16(18)19(21)20-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,20,21)
InChIKeyXJSJKZYEQHTKFU-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.22
Rot. Bonds4

About 2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 3377458) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID3377458
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C19H21NO2S/c1-22-18-12-14(23-2)10-11-16(18)19(21)20-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,20,21)
InChIKeyXJSJKZYEQHTKFU-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2636087
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99949580
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2671208
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43889355
2-bromo-4-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9192392
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 41135260
7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 38016871
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 3377458) is 2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is COc1cc(SC)ccc1C(=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is XJSJKZYEQHTKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-22-18-12-14(23-2)10-11-16(18)19(21)20-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 327.45 g/mol, XLogP of 4.22, 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-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 3377458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).