3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide

C26H30N2O6S — CID 55709404

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)cc(OC)c1OC
InChIInChI=1S/C26H30N2O6S/c1-16-10-11-17(2)24(12-16)35(30,31)28-21-9-7-8-19(13-21)26(29)27-18(3)20-14-22(32-4)25(34-6)23(15-20)33-5/h7-15,18,28H,1-6H3,(H,27,29)
InChIKeyHTKGKALDZUOVSX-UHFFFAOYSA-N
MW498.60 g/mol
LogP4.62
Rot. Bonds9

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide (PubChem CID 55709404) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
PubChem CID55709404
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)cc(OC)c1OC
InChIInChI=1S/C26H30N2O6S/c1-16-10-11-17(2)24(12-16)35(30,31)28-21-9-7-8-19(13-21)26(29)27-18(3)20-14-22(32-4)25(34-6)23(15-20)33-5/h7-15,18,28H,1-6H3,(H,27,29)
InChIKeyHTKGKALDZUOVSX-UHFFFAOYSA-N
XLogP4.62
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 94013133
4-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 94013134
N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132671557
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
methyl 3-[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]-3-phenylpropanoate
CID 46637636
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 30684608
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 133163076
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
CID 30686518
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 92675662

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide (CID 55709404) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide is COc1cc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)cc(OC)c1OC.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The InChIKey is HTKGKALDZUOVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-16-10-11-17(2)24(12-16)35(30,31)28-21-9-7-8-19(13-21)26(29)27-18(3)20-14-22(32-4)25(34-6)23(15-20)33-5/h7-15,18,28H,1-6H3,(H,27,29).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide has a molecular weight of 498.60 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55709404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).