3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide

C19H24N2O5S — CID 110602545

IUPAC3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(C)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-14-5-8-16(9-6-14)27(23,24)21(2)12-11-20-19(22)15-7-10-17(25-3)18(13-15)26-4/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyGCYGQOILXPRVKC-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.06
Rot. Bonds8

About 3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide

3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 110602545) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID110602545
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(C)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-14-5-8-16(9-6-14)27(23,24)21(2)12-11-20-19(22)15-7-10-17(25-3)18(13-15)26-4/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyGCYGQOILXPRVKC-UHFFFAOYSA-N
XLogP2.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602541
3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 174695598
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064982
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 3274106
3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2972175
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 3512249
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide (CID 110602545) is 3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide is COc1ccc(C(=O)NCCN(C)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is GCYGQOILXPRVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14-5-8-16(9-6-14)27(23,24)21(2)12-11-20-19(22)15-7-10-17(25-3)18(13-15)26-4/h5-10,13H,11-12H2,1-4H3,(H,20,22).
What are the key properties of 3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide?
3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 110602545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).