2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide

C13H19NO3S — CID 885094

IUPAC2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(SC)cc1OC
InChIInChI=1S/C13H19NO3S/c1-9(8-16-2)14-13(15)11-6-5-10(18-4)7-12(11)17-3/h5-7,9H,8H2,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyJAXRAOVAHMXZLC-SECBINFHSA-N
MW269.37 g/mol
LogP2.18
Rot. Bonds6

About 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide

2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide (PubChem CID 885094) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide
PubChem CID885094
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(SC)cc1OC
InChIInChI=1S/C13H19NO3S/c1-9(8-16-2)14-13(15)11-6-5-10(18-4)7-12(11)17-3/h5-7,9H,8H2,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyJAXRAOVAHMXZLC-SECBINFHSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
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
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide
CID 30481637
2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 97087681
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
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-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide?
The IUPAC name of 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide (CID 885094) is 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide?
The canonical SMILES for 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide is COC[C@@H](C)NC(=O)c1ccc(SC)cc1OC.
What is the InChIKey of 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide?
The InChIKey is JAXRAOVAHMXZLC-SECBINFHSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(8-16-2)14-13(15)11-6-5-10(18-4)7-12(11)17-3/h5-7,9H,8H2,1-4H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide?
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide has a molecular weight of 269.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 885094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).