4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide

C18H21NO4S — CID 119048571

IUPAC4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
SMILESCCc1ccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-2-14-3-7-16(8-4-14)18(21)19-13-15-5-9-17(10-6-15)24(22,23)12-11-20/h3-10,20H,2,11-13H2,1H3,(H,19,21)
InChIKeyJBPOGZAXSFMQBF-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.95
Rot. Bonds7

About 4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide

4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide (PubChem CID 119048571) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
PubChem CID119048571
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
SMILESCCc1ccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-2-14-3-7-16(8-4-14)18(21)19-13-15-5-9-17(10-6-15)24(22,23)12-11-20/h3-10,20H,2,11-13H2,1H3,(H,19,21)
InChIKeyJBPOGZAXSFMQBF-UHFFFAOYSA-N
XLogP1.95
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
CID 119048599
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
N-[(4-ethylsulfonylphenyl)methyl]-4-[(2-methylpropylamino)methyl]benzamide
CID 174934667
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
CID 96664940
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 119048587
2-[(4-ethylbenzoyl)amino]ethanesulfonic acid
CID 90066946
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
CID 60892970

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide?
The IUPAC name of 4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide (CID 119048571) is 4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide is CCc1ccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide?
The InChIKey is JBPOGZAXSFMQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-2-14-3-7-16(8-4-14)18(21)19-13-15-5-9-17(10-6-15)24(22,23)12-11-20/h3-10,20H,2,11-13H2,1H3,(H,19,21).
What are the key properties of 4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide?
4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 119048571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).