N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide

C15H21NO2S — CID 102866356

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H21NO2S/c1-19-14-9-3-2-8-13(14)15(18)16(10-5-11-17)12-6-4-7-12/h2-3,8-9,12,17H,4-7,10-11H2,1H3
InChIKeyBHNUMJLRGONYCM-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.79
Rot. Bonds6

About N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide

N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide (PubChem CID 102866356) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide
PubChem CID102866356
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H21NO2S/c1-19-14-9-3-2-8-13(14)15(18)16(10-5-11-17)12-6-4-7-12/h2-3,8-9,12,17H,4-7,10-11H2,1H3
InChIKeyBHNUMJLRGONYCM-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897
3-[cyclopropyl-(2-methylsulfanylbenzoyl)amino]-2-methylpropanoic acid
CID 120977103
N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide
CID 102866453
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-cyclobutyl-2-fluoro-4-hydroxy-N-(3-hydroxypropyl)benzamide
CID 102978235
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 79217551
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 102978246
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
2-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]benzoic acid
CID 102860796
4-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-2-sulfanylbenzamide
CID 107036757
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102858844

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide (CID 102866356) is N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide?
The InChIKey is BHNUMJLRGONYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-19-14-9-3-2-8-13(14)15(18)16(10-5-11-17)12-6-4-7-12/h2-3,8-9,12,17H,4-7,10-11H2,1H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide has a molecular weight of 279.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 102866356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).