N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide

C22H22N2O4S — CID 132663597

IUPACN-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16(17-11-13-20(28-2)14-12-17)23-22(25)18-7-6-10-21(15-18)29(26,27)24-19-8-4-3-5-9-19/h3-16,24H,1-2H3,(H,23,25)
InChIKeyVYYZMXSTLKHVJG-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.99
Rot. Bonds7

About N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide

N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide (PubChem CID 132663597) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
PubChem CID132663597
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16(17-11-13-20(28-2)14-12-17)23-22(25)18-7-6-10-21(15-18)29(26,27)24-19-8-4-3-5-9-19/h3-16,24H,1-2H3,(H,23,25)
InChIKeyVYYZMXSTLKHVJG-UHFFFAOYSA-N
XLogP3.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55985947
N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132671557
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
N-[1-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 53285830
N-[furan-2-yl(phenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 134029296
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide (CID 132663597) is N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide is COc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide?
The InChIKey is VYYZMXSTLKHVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16(17-11-13-20(28-2)14-12-17)23-22(25)18-7-6-10-21(15-18)29(26,27)24-19-8-4-3-5-9-19/h3-16,24H,1-2H3,(H,23,25).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide?
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 132663597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).