N-(2-methoxypropyl)-3-sulfanylbenzamide

C11H15NO2S — CID 107036660

IUPACN-(2-methoxypropyl)-3-sulfanylbenzamide
SMILESCOC(C)CNC(=O)c1cccc(S)c1
InChIInChI=1S/C11H15NO2S/c1-8(14-2)7-12-11(13)9-4-3-5-10(15)6-9/h3-6,8,15H,7H2,1-2H3,(H,12,13)
InChIKeyOTLJUHXFOIWVCG-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.74
Rot. Bonds4

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

N-(2-methoxypropyl)-3-sulfanylbenzamide (PubChem CID 107036660) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-methoxypropyl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-3-sulfanylbenzamide
PubChem CID107036660
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(2-methoxypropyl)-3-sulfanylbenzamide
SMILESCOC(C)CNC(=O)c1cccc(S)c1
InChIInChI=1S/C11H15NO2S/c1-8(14-2)7-12-11(13)9-4-3-5-10(15)6-9/h3-6,8,15H,7H2,1-2H3,(H,12,13)
InChIKeyOTLJUHXFOIWVCG-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-(propan-2-ylamino)propyl]-3-sulfanylbenzamide
CID 107034658
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
(E)-3-[2-chloro-4-(2-methoxypropylcarbamoyl)phenyl]prop-2-enoic acid
CID 102700386
4-(ethylamino)-N-(2-methoxypropyl)benzamide
CID 102700595
N-decyl-3-sulfanylbenzamide
CID 107032454
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide
CID 107034454
3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride
CID 119813458
N-(1,3-dihydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107031183
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 102701127

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-3-sulfanylbenzamide?
The IUPAC name of N-(2-methoxypropyl)-3-sulfanylbenzamide (CID 107036660) is N-(2-methoxypropyl)-3-sulfanylbenzamide.
What is the SMILES notation for N-(2-methoxypropyl)-3-sulfanylbenzamide?
The canonical SMILES for N-(2-methoxypropyl)-3-sulfanylbenzamide is COC(C)CNC(=O)c1cccc(S)c1.
What is the InChIKey of N-(2-methoxypropyl)-3-sulfanylbenzamide?
The InChIKey is OTLJUHXFOIWVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(14-2)7-12-11(13)9-4-3-5-10(15)6-9/h3-6,8,15H,7H2,1-2H3,(H,12,13).
What are the key properties of N-(2-methoxypropyl)-3-sulfanylbenzamide?
N-(2-methoxypropyl)-3-sulfanylbenzamide has a molecular weight of 225.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107036660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).