4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide

C22H22N2O4S — CID 27006017

IUPAC4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-29(26,27)23-16-15-17-7-9-18(10-8-17)22(25)24-19-11-13-21(14-12-19)28-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyMEBIHMIRHRHKRP-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.82
Rot. Bonds8

About 4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide

4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide (PubChem CID 27006017) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
PubChem CID27006017
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-29(26,27)23-16-15-17-7-9-18(10-8-17)22(25)24-19-11-13-21(14-12-19)28-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyMEBIHMIRHRHKRP-UHFFFAOYSA-N
XLogP3.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
4-[2-(methanesulfonamido)ethyl]-N-(4-propan-2-ylphenyl)benzamide
CID 27007439
5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 27006016
N-(9H-fluoren-3-yl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 25483410
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide (CID 27006017) is 4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide is CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide?
The InChIKey is MEBIHMIRHRHKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-29(26,27)23-16-15-17-7-9-18(10-8-17)22(25)24-19-11-13-21(14-12-19)28-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,24,25).
What are the key properties of 4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide?
4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 27006017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).