2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide

C12H17NO2S — CID 669888

IUPAC2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NC(C)C
InChIInChI=1S/C12H17NO2S/c1-8(2)13-12(14)10-6-5-9(16-4)7-11(10)15-3/h5-8H,1-4H3,(H,13,14)
InChIKeyUFUJQWNPKJAKMR-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.56
Rot. Bonds4

About 2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide

2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide (PubChem CID 669888) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
PubChem CID669888
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NC(C)C
InChIInChI=1S/C12H17NO2S/c1-8(2)13-12(14)10-6-5-9(16-4)7-11(10)15-3/h5-8H,1-4H3,(H,13,14)
InChIKeyUFUJQWNPKJAKMR-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.56
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-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide
CID 2915555
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 26907621
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 2124983
2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide
CID 3134403
N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2677212
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
CID 670832
N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 2995158
1-tert-butyl-3-[(2-methoxy-4-methylsulfanylbenzoyl)amino]thiourea
CID 9425478

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide (CID 669888) is 2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide is COc1cc(SC)ccc1C(=O)NC(C)C.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide?
The InChIKey is UFUJQWNPKJAKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8(2)13-12(14)10-6-5-9(16-4)7-11(10)15-3/h5-8H,1-4H3,(H,13,14).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide?
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide has a molecular weight of 239.34 g/mol, XLogP of 2.56, 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-propan-2-ylbenzamide is sourced from PubChem (CID 669888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).