N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide

C14H21NO3S — CID 103798708

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NC(C)C(CO)SC)c1
InChIInChI=1S/C14H21NO3S/c1-10(13(8-16)19-3)15-14(17)12-6-4-5-11(7-12)9-18-2/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyVAZIFSQUALUKLG-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.68
Rot. Bonds7

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide (PubChem CID 103798708) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide
PubChem CID103798708
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NC(C)C(CO)SC)c1
InChIInChI=1S/C14H21NO3S/c1-10(13(8-16)19-3)15-14(17)12-6-4-5-11(7-12)9-18-2/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyVAZIFSQUALUKLG-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide
CID 103801417
3-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methoxybenzamide
CID 103801471
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methoxymethyl)benzamide
CID 9470580
3-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylbenzamide
CID 103957572
3-(methoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 31110060
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide (CID 103798708) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NC(C)C(CO)SC)c1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide?
The InChIKey is VAZIFSQUALUKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10(13(8-16)19-3)15-14(17)12-6-4-5-11(7-12)9-18-2/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide has a molecular weight of 283.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide is sourced from PubChem (CID 103798708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).