N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide

C15H21NO2S — CID 110000339

IUPACN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)NC(C)(CO)C2CC2)cc1
InChIInChI=1S/C15H21NO2S/c1-3-19-13-8-4-11(5-9-13)14(18)16-15(2,10-17)12-6-7-12/h4-5,8-9,12,17H,3,6-7,10H2,1-2H3,(H,16,18)
InChIKeyCZUMUCJZJPZXOT-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.69
Rot. Bonds6

About N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide

N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide (PubChem CID 110000339) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide
PubChem CID110000339
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)NC(C)(CO)C2CC2)cc1
InChIInChI=1S/C15H21NO2S/c1-3-19-13-8-4-11(5-9-13)14(18)16-15(2,10-17)12-6-7-12/h4-5,8-9,12,17H,3,6-7,10H2,1-2H3,(H,16,18)
InChIKeyCZUMUCJZJPZXOT-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide
CID 86814287
N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 119575760
N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
CID 119575759
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide
CID 84592217
N-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 97023794
N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
CID 115271024
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119575421
1-N-(1-amino-2-cyclopropylpropan-2-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119575007
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
CID 97002318
2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
CID 106848056
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119572841
N-(2-cyclohexyl-1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 91660588

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide?
The IUPAC name of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide (CID 110000339) is N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide is CCSc1ccc(C(=O)NC(C)(CO)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide?
The InChIKey is CZUMUCJZJPZXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-3-19-13-8-4-11(5-9-13)14(18)16-15(2,10-17)12-6-7-12/h4-5,8-9,12,17H,3,6-7,10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide?
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide has a molecular weight of 279.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide is sourced from PubChem (CID 110000339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).