N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C22H22N2O5S — CID 95254693

IUPACN-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N2O5S/c1-15-7-9-17(10-8-15)24-30(26,27)19-6-4-5-16(13-19)22(25)23-20-14-18(28-2)11-12-21(20)29-3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyFMIZXMBSNNLSPF-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.07
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 95254693) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID95254693
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N2O5S/c1-15-7-9-17(10-8-15)24-30(26,27)19-6-4-5-16(13-19)22(25)23-20-14-18(28-2)11-12-21(20)29-3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyFMIZXMBSNNLSPF-UHFFFAOYSA-N
XLogP4.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26620643
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513297
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 2350153
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 95254693) is N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is FMIZXMBSNNLSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-15-7-9-17(10-8-15)24-30(26,27)19-6-4-5-16(13-19)22(25)23-20-14-18(28-2)11-12-21(20)29-3/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 426.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 95254693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).