4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide

C16H17NO5S — CID 47602187

IUPAC4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide
SMILESCCOc1ccc(C(=O)N(c2cccc(O)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H17NO5S/c1-3-22-15-9-7-12(8-10-15)16(19)17(23(2,20)21)13-5-4-6-14(18)11-13/h4-11,18H,3H2,1-2H3
InChIKeyVPYHXFPYKIVRDI-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.40
Rot. Bonds5

About 4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide

4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide (PubChem CID 47602187) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide
PubChem CID47602187
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide
SMILESCCOc1ccc(C(=O)N(c2cccc(O)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H17NO5S/c1-3-22-15-9-7-12(8-10-15)16(19)17(23(2,20)21)13-5-4-6-14(18)11-13/h4-11,18H,3H2,1-2H3
InChIKeyVPYHXFPYKIVRDI-UHFFFAOYSA-N
XLogP2.40
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
ethyl 3-[methylsulfonyl-(3-phenoxybenzoyl)amino]benzoate
CID 3727396
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone
CID 43338379
4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid
CID 107736710
N,N-bis(cyanomethyl)-4-ethoxybenzamide
CID 710517
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
CID 108541923
(4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid
CID 67789240
4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211038
2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 30256331
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-nitrobenzamide
CID 19211370

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide?
The IUPAC name of 4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide (CID 47602187) is 4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide?
The canonical SMILES for 4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide is CCOc1ccc(C(=O)N(c2cccc(O)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide?
The InChIKey is VPYHXFPYKIVRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-3-22-15-9-7-12(8-10-15)16(19)17(23(2,20)21)13-5-4-6-14(18)11-13/h4-11,18H,3H2,1-2H3.
What are the key properties of 4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide?
4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide has a molecular weight of 335.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide is sourced from PubChem (CID 47602187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).