N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide

C14H21NO2S — CID 2204707

IUPACN-(3-ethoxypropyl)-2-ethylsulfanylbenzamide
SMILESCCOCCCNC(=O)c1ccccc1SCC
InChIInChI=1S/C14H21NO2S/c1-3-17-11-7-10-15-14(16)12-8-5-6-9-13(12)18-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)
InChIKeyMPIYGZBIOJWCTH-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.95
Rot. Bonds8

About N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide

N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide (PubChem CID 2204707) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-ethylsulfanylbenzamide
PubChem CID2204707
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(3-ethoxypropyl)-2-ethylsulfanylbenzamide
SMILESCCOCCCNC(=O)c1ccccc1SCC
InChIInChI=1S/C14H21NO2S/c1-3-17-11-7-10-15-14(16)12-8-5-6-9-13(12)18-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)
InChIKeyMPIYGZBIOJWCTH-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(sec-butyl)-2-(methylthio)benzamide
CID 2962961
N-(1-methylbutyl)-2-(methylthio)benzamide
CID 2981526
(2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone
CID 563441
N-Methyl-4-(methylthio)benzamide
CID 4518228
N-[5-(hydroxyamino)-5-oxopentyl]-2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzamide
CID 168298515
N-(2-methylbenzyl)-2-(methylthio)benzamide
CID 2223490
(2-Methylsulfanylphenyl)-piperidin-1-ylmethanone
CID 2962943
2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2985265
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide
CID 4059372
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-(2-bromoethyl)carbamothioate
CID 403783
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-pentylcarbamothioate
CID 404013
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-hexylcarbamothioate
CID 404015

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide (CID 2204707) is N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide is CCOCCCNC(=O)c1ccccc1SCC.
What is the InChIKey of N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide?
The InChIKey is MPIYGZBIOJWCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-17-11-7-10-15-14(16)12-8-5-6-9-13(12)18-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide?
N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide has a molecular weight of 267.39 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-ethylsulfanylbenzamide is sourced from PubChem (CID 2204707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).