N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide

C11H15NO3S — CID 107030584

IUPACN-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide
SMILESCOCC(O)CNC(=O)c1ccc(S)cc1
InChIInChI=1S/C11H15NO3S/c1-15-7-9(13)6-12-11(14)8-2-4-10(16)5-3-8/h2-5,9,13,16H,6-7H2,1H3,(H,12,14)
InChIKeyYYAGLSZHBMGPSM-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.71
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide

N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide (PubChem CID 107030584) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide
PubChem CID107030584
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide
SMILESCOCC(O)CNC(=O)c1ccc(S)cc1
InChIInChI=1S/C11H15NO3S/c1-15-7-9(13)6-12-11(14)8-2-4-10(16)5-3-8/h2-5,9,13,16H,6-7H2,1H3,(H,12,14)
InChIKeyYYAGLSZHBMGPSM-UHFFFAOYSA-N
XLogP0.71
TPSA58.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)benzamide
CID 131907534
2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
CID 113277862
N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
CID 79693699
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
3-methoxypropyl 4-sulfanylbenzoate
CID 107018239
N-(2-bromo-3-methoxypropyl)-4-ethylbenzamide
CID 114309833

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide (CID 107030584) is N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide is COCC(O)CNC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide?
The InChIKey is YYAGLSZHBMGPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-15-7-9(13)6-12-11(14)8-2-4-10(16)5-3-8/h2-5,9,13,16H,6-7H2,1H3,(H,12,14).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide?
N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide has a molecular weight of 241.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107030584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).