N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide

C19H23NO5S — CID 33182974

IUPACN-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2ccccc2S(=O)(=O)CC)c1
InChIInChI=1S/C19H23NO5S/c1-4-24-14-11-12-17(25-5-2)16(13-14)20-19(21)15-9-7-8-10-18(15)26(22,23)6-3/h7-13H,4-6H2,1-3H3,(H,20,21)
InChIKeyHXHCODHFVRVIMM-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.53
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide

N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide (PubChem CID 33182974) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
PubChem CID33182974
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2ccccc2S(=O)(=O)CC)c1
InChIInChI=1S/C19H23NO5S/c1-4-24-14-11-12-17(25-5-2)16(13-14)20-19(21)15-9-7-8-10-18(15)26(22,23)6-3/h7-13H,4-6H2,1-3H3,(H,20,21)
InChIKeyHXHCODHFVRVIMM-UHFFFAOYSA-N
XLogP3.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 7603183
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 36665080
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 24684132
N-(2-butoxyphenyl)-2,4-diethoxybenzamide
CID 17087110
N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 34741571
2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide
CID 7578693
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide
CID 9490111
N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide
CID 13003888
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide (CID 33182974) is N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide is CCOc1ccc(OCC)c(NC(=O)c2ccccc2S(=O)(=O)CC)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide?
The InChIKey is HXHCODHFVRVIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-4-24-14-11-12-17(25-5-2)16(13-14)20-19(21)15-9-7-8-10-18(15)26(22,23)6-3/h7-13H,4-6H2,1-3H3,(H,20,21).
What are the key properties of N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide?
N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide has a molecular weight of 377.46 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide is sourced from PubChem (CID 33182974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).