N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide

C19H29NO4S — CID 124855890

IUPACN-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide
SMILESCCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@](C)(O)C1CCCCC1
InChIInChI=1S/C19H29NO4S/c1-4-14-10-11-16(25(3,23)24)12-17(14)18(21)20-13-19(2,22)15-8-6-5-7-9-15/h10-12,15,22H,4-9,13H2,1-3H3,(H,20,21)/t19-/m0/s1
InChIKeyZQJDUZQHUYZCBO-IBGZPJMESA-N
MW367.51 g/mol
LogP2.71
Rot. Bonds6

About N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide

N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide (PubChem CID 124855890) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide
PubChem CID124855890
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC NameN-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide
SMILESCCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@](C)(O)C1CCCCC1
InChIInChI=1S/C19H29NO4S/c1-4-14-10-11-16(25(3,23)24)12-17(14)18(21)20-13-19(2,22)15-8-6-5-7-9-15/h10-12,15,22H,4-9,13H2,1-3H3,(H,20,21)/t19-/m0/s1
InChIKeyZQJDUZQHUYZCBO-IBGZPJMESA-N
XLogP2.71
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide
CID 99795407
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
N-(2-cyclopentyl-2-hydroxypropyl)acetamide
CID 126988295
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 91652823
N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide
CID 52992742
2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
CID 134060819
3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide
CID 94909077
3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-N-(2-cyclopropyl-2-hydroxypropyl)-2-hydroxy-5-methylbenzamide
CID 167543270
2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
CID 106331553
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119574388

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide (CID 124855890) is N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide is CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@](C)(O)C1CCCCC1.
What is the InChIKey of N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide?
The InChIKey is ZQJDUZQHUYZCBO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29NO4S/c1-4-14-10-11-16(25(3,23)24)12-17(14)18(21)20-13-19(2,22)15-8-6-5-7-9-15/h10-12,15,22H,4-9,13H2,1-3H3,(H,20,21)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide?
N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide has a molecular weight of 367.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 124855890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).