N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide

C18H21NO4S — CID 110790705

IUPACN-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
SMILESCCS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-3-24(21,22)17-10-4-14(5-11-17)12-13-19-18(20)15-6-8-16(23-2)9-7-15/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyCZERFFCPDBHPBU-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide

N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide (PubChem CID 110790705) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
PubChem CID110790705
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
SMILESCCS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-3-24(21,22)17-10-4-14(5-11-17)12-13-19-18(20)15-6-8-16(23-2)9-7-15/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyCZERFFCPDBHPBU-UHFFFAOYSA-N
XLogP2.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27548689
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 34820303
N-[2-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99959532
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
CID 96664940

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide (CID 110790705) is N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide is CCS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is CZERFFCPDBHPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-3-24(21,22)17-10-4-14(5-11-17)12-13-19-18(20)15-6-8-16(23-2)9-7-15/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide?
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 347.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 110790705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).