N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide

C26H31N3O5S — CID 26134839

IUPACN-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(NCc3cc(C)ccc3C)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1
InChIInChI=1S/C26H31N3O5S/c1-17-7-8-18(2)20(9-17)16-27-21-10-19(11-25(14-21)35(31,32)29(3)4)26(30)28-22-12-23(33-5)15-24(13-22)34-6/h7-15,27H,16H2,1-6H3,(H,28,30)
InChIKeyFJEYSLWAHCRDBM-UHFFFAOYSA-N
MW497.62 g/mol
LogP4.44
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide

N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide (PubChem CID 26134839) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide
PubChem CID26134839
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(NCc3cc(C)ccc3C)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1
InChIInChI=1S/C26H31N3O5S/c1-17-7-8-18(2)20(9-17)16-27-21-10-19(11-25(14-21)35(31,32)29(3)4)26(30)28-22-12-23(33-5)15-24(13-22)34-6/h7-15,27H,16H2,1-6H3,(H,28,30)
InChIKeyFJEYSLWAHCRDBM-UHFFFAOYSA-N
XLogP4.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide
CID 26143018
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 4800647
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 53282064
3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 26140203
1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone
CID 83313035
3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
CID 26225966
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 26139855
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(furan-3-ylmethylamino)benzamide
CID 26222863
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide
CID 26227326

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide (CID 26134839) is N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide is COc1cc(NC(=O)c2cc(NCc3cc(C)ccc3C)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide?
The InChIKey is FJEYSLWAHCRDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-17-7-8-18(2)20(9-17)16-27-21-10-19(11-25(14-21)35(31,32)29(3)4)26(30)28-22-12-23(33-5)15-24(13-22)34-6/h7-15,27H,16H2,1-6H3,(H,28,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide?
N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide has a molecular weight of 497.62 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 26134839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).