N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide

C14H21NO2S — CID 115703473

IUPACN-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide
SMILESCCC(O)CCNC(=O)c1cccc(CSC)c1
InChIInChI=1S/C14H21NO2S/c1-3-13(16)7-8-15-14(17)12-6-4-5-11(9-12)10-18-2/h4-6,9,13,16H,3,7-8,10H2,1-2H3,(H,15,17)
InChIKeyIKMBGMXFFGSJRT-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.44
Rot. Bonds7

About N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide

N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide (PubChem CID 115703473) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide
PubChem CID115703473
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide
SMILESCCC(O)CCNC(=O)c1cccc(CSC)c1
InChIInChI=1S/C14H21NO2S/c1-3-13(16)7-8-15-14(17)12-6-4-5-11(9-12)10-18-2/h4-6,9,13,16H,3,7-8,10H2,1-2H3,(H,15,17)
InChIKeyIKMBGMXFFGSJRT-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
(2S)-2-hydroxy-3-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 114006434
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
3-(methylsulfanylmethyl)-N-prop-2-enylbenzamide
CID 60667719
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584
N-(2,2-difluoro-3-hydroxypropyl)-3-(methylsulfanylmethyl)benzamide
CID 104858070
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide
CID 9470598
2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide
CID 9274402
3-(chloromethyl)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106246225
3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176255
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
(2S)-2-[[3-(methylsulfanylmethyl)benzoyl]amino]hexanoic acid
CID 107144300

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide (CID 115703473) is N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide is CCC(O)CCNC(=O)c1cccc(CSC)c1.
What is the InChIKey of N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide?
The InChIKey is IKMBGMXFFGSJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-13(16)7-8-15-14(17)12-6-4-5-11(9-12)10-18-2/h4-6,9,13,16H,3,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide?
N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide has a molecular weight of 267.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 115703473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).