N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide

C14H19NO2S — CID 52992742

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(C)(O)C1CC1
InChIInChI=1S/C14H19NO2S/c1-14(17,10-7-8-10)9-15-13(16)11-5-3-4-6-12(11)18-2/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyYNZKBUMRUBSTNB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.30
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide

N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide (PubChem CID 52992742) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide
PubChem CID52992742
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(C)(O)C1CC1
InChIInChI=1S/C14H19NO2S/c1-14(17,10-7-8-10)9-15-13(16)11-5-3-4-6-12(11)18-2/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyYNZKBUMRUBSTNB-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2-methylsulfanylphenyl)oxamide
CID 56764387
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 94909095
N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
CID 94101618
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71781885
N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide
CID 2224882
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
N-(2-cyclopropyl-2-hydroxypropyl)furan-2-carboxamide
CID 52992722
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
CID 106127010
N-[(3-bromocyclohexyl)methyl]-2-methylsulfanylbenzamide
CID 114147792

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide (CID 52992742) is N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(C)(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide?
The InChIKey is YNZKBUMRUBSTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-14(17,10-7-8-10)9-15-13(16)11-5-3-4-6-12(11)18-2/h3-6,10,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide?
N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide has a molecular weight of 265.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 52992742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).