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

C23H24N2O4S — CID 99958629

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O4S/c1-16-9-10-19(15-22(16)30(27,28)25-20-7-5-4-6-8-20)23(26)24-17(2)18-11-13-21(29-3)14-12-18/h4-15,17,25H,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyJBOOFGJZFBWCNJ-KRWDZBQOSA-N
MW424.52 g/mol
LogP4.30
Rot. Bonds7

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

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide (PubChem CID 99958629) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
PubChem CID99958629
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O4S/c1-16-9-10-19(15-22(16)30(27,28)25-20-7-5-4-6-8-20)23(26)24-17(2)18-11-13-21(29-3)14-12-18/h4-15,17,25H,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyJBOOFGJZFBWCNJ-KRWDZBQOSA-N
XLogP4.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 92675662
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 30389944
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132671557
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92684677
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 94018670

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide (CID 99958629) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide is COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is JBOOFGJZFBWCNJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-16-9-10-19(15-22(16)30(27,28)25-20-7-5-4-6-8-20)23(26)24-17(2)18-11-13-21(29-3)14-12-18/h4-15,17,25H,1-3H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide has a molecular weight of 424.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 99958629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).