2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide

C14H21NO3S — CID 103767466

IUPAC2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCSCCCO
InChIInChI=1S/C14H21NO3S/c1-2-18-13-7-4-3-6-12(13)14(17)15-8-11-19-10-5-9-16/h3-4,6-7,16H,2,5,8-11H2,1H3,(H,15,17)
InChIKeyUOZMAWADPPOPOL-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.93
Rot. Bonds9

About 2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide

2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide (PubChem CID 103767466) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
PubChem CID103767466
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCSCCCO
InChIInChI=1S/C14H21NO3S/c1-2-18-13-7-4-3-6-12(13)14(17)15-8-11-19-10-5-9-16/h3-4,6-7,16H,2,5,8-11H2,1H3,(H,15,17)
InChIKeyUOZMAWADPPOPOL-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide
CID 103767307
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide (CID 103767466) is 2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide is CCOc1ccccc1C(=O)NCCSCCCO.
What is the InChIKey of 2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
The InChIKey is UOZMAWADPPOPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-18-13-7-4-3-6-12(13)14(17)15-8-11-19-10-5-9-16/h3-4,6-7,16H,2,5,8-11H2,1H3,(H,15,17).
What are the key properties of 2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide has a molecular weight of 283.39 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 103767466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).