N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide

C15H23NO2S — CID 103782460

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)NC(CCO)C(C)C)c1
InChIInChI=1S/C15H23NO2S/c1-11(2)14(7-8-17)16-15(18)13-6-4-5-12(9-13)10-19-3/h4-6,9,11,14,17H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyLACKNCBTCYDNFW-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.69
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide

N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide (PubChem CID 103782460) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide
PubChem CID103782460
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)NC(CCO)C(C)C)c1
InChIInChI=1S/C15H23NO2S/c1-11(2)14(7-8-17)16-15(18)13-6-4-5-12(9-13)10-19-3/h4-6,9,11,14,17H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyLACKNCBTCYDNFW-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-hydroxy-2-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 80749917
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide
CID 9470598
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 79246122
(2S)-2-[[3-(methylsulfanylmethyl)benzoyl]amino]hexanoic acid
CID 107144300
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
3-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzoic acid
CID 106350971
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
N-(1-hydroxy-4-methylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 103852402
3-(methylsulfanylmethyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 40809207
N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide
CID 115703473

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide (CID 103782460) is N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide is CSCc1cccc(C(=O)NC(CCO)C(C)C)c1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide?
The InChIKey is LACKNCBTCYDNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(2)14(7-8-17)16-15(18)13-6-4-5-12(9-13)10-19-3/h4-6,9,11,14,17H,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide?
N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide has a molecular weight of 281.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 103782460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).