N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide

C15H23NO4S — CID 79377923

IUPACN-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C15H23NO4S/c1-5-16(11-15(3,4)18)14(17)12-9-7-8-10-13(12)21(19,20)6-2/h7-10,18H,5-6,11H2,1-4H3
InChIKeyGABJGNWZNIGETI-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.71
Rot. Bonds6

About N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide

N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 79377923) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID79377923
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C15H23NO4S/c1-5-16(11-15(3,4)18)14(17)12-9-7-8-10-13(12)21(19,20)6-2/h7-10,18H,5-6,11H2,1-4H3
InChIKeyGABJGNWZNIGETI-UHFFFAOYSA-N
XLogP1.71
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide
CID 55435906
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
CID 79378834
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
1-(2-ethylsulfonylphenyl)ethanone
CID 118020273
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 111596646
N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide
CID 60621588
2-ethylsulfonylbenzoyl chloride
CID 18978016
2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104553452
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111596655
N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55383995

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide (CID 79377923) is N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide is CCN(CC(C)(C)O)C(=O)c1ccccc1S(=O)(=O)CC.
What is the InChIKey of N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is GABJGNWZNIGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-16(11-15(3,4)18)14(17)12-9-7-8-10-13(12)21(19,20)6-2/h7-10,18H,5-6,11H2,1-4H3.
What are the key properties of N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide?
N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 313.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 79377923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).