4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide

C20H26N2O5S — CID 126388487

IUPAC4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O5S/c1-6-22(7-2)20(23)15-8-10-16(11-9-15)21(3)28(24,25)17-12-13-18(26-4)19(14-17)27-5/h8-14H,6-7H2,1-5H3
InChIKeyOUBZJOLVXKEGBN-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.01
Rot. Bonds8

About 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide

4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide (PubChem CID 126388487) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide
PubChem CID126388487
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O5S/c1-6-22(7-2)20(23)15-8-10-16(11-9-15)21(3)28(24,25)17-12-13-18(26-4)19(14-17)27-5/h8-14H,6-7H2,1-5H3
InChIKeyOUBZJOLVXKEGBN-UHFFFAOYSA-N
XLogP3.01
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1022029
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1294119
3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 1289307
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2972175
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
CID 71904208
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92686168
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2984505
ethyl 3-chloro-4-[[4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzoyl]amino]benzoate
CID 43876679
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 3512249

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide (CID 126388487) is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide?
The InChIKey is OUBZJOLVXKEGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-6-22(7-2)20(23)15-8-10-16(11-9-15)21(3)28(24,25)17-12-13-18(26-4)19(14-17)27-5/h8-14H,6-7H2,1-5H3.
What are the key properties of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide?
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide has a molecular weight of 406.50 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 126388487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).