3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide

C45H42Cl2N6O10S2 — CID 158249317

IUPAC3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)c1cccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(S(N)(=O)=O)c2)c1.CNC(=O)c1cccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(S(N)(=O)=O)c2)c1
InChIInChI=1S/C23H22ClN3O5S.C22H20ClN3O5S/c1-27(2)23(29)16-6-3-5-15(11-16)12-22(28)26-18-9-10-20(21(14-18)33(25,30)31)32-19-8-4-7-17(24)13-19;1-25-22(28)15-5-2-4-14(10-15)11-21(27)26-17-8-9-19(20(13-17)32(24,29)30)31-18-7-3-6-16(23)12-18/h3-11,13-14H,12H2,1-2H3,(H,26,28)(H2,25,30,31);2-10,12-13H,11H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyGGNCHSXYLCMNKE-UHFFFAOYSA-N
MW961.90 g/mol
LogP6.98
Rot. Bonds14

About 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide

3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 158249317) has the molecular formula C45H42Cl2N6O10S2 and a molecular weight of 961.90 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide
PubChem CID158249317
Molecular FormulaC45H42Cl2N6O10S2
Molecular Weight961.90 g/mol
Exact Mass960.18
IUPAC Name3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)c1cccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(S(N)(=O)=O)c2)c1.CNC(=O)c1cccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(S(N)(=O)=O)c2)c1
InChIInChI=1S/C23H22ClN3O5S.C22H20ClN3O5S/c1-27(2)23(29)16-6-3-5-15(11-16)12-22(28)26-18-9-10-20(21(14-18)33(25,30)31)32-19-8-4-7-17(24)13-19;1-25-22(28)15-5-2-4-14(10-15)11-21(27)26-17-8-9-19(20(13-17)32(24,29)30)31-18-7-3-6-16(23)12-18/h3-11,13-14H,12H2,1-2H3,(H,26,28)(H2,25,30,31);2-10,12-13H,11H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyGGNCHSXYLCMNKE-UHFFFAOYSA-N
XLogP6.98
TPSA246.39 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.90
LogP ≤ 56.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-(2,4-dichloro-1,2-dihydropyridin-5-yl)acetamide
CID 145203246
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
3-(methoxymethyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 9378793
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 9314380
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
3-chloro-N-(3-chloro-4-sulfamoylphenyl)benzamide
CID 43246493
4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
CID 26679644
3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 17488443
2-(2-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 145203258
3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 9219617
3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide
CID 55599525
3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 119049014

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide (CID 158249317) is 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide is CN(C)C(=O)c1cccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(S(N)(=O)=O)c2)c1.CNC(=O)c1cccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is GGNCHSXYLCMNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5S.C22H20ClN3O5S/c1-27(2)23(29)16-6-3-5-15(11-16)12-22(28)26-18-9-10-20(21(14-18)33(25,30)31)32-19-8-4-7-17(24)13-19;1-25-22(28)15-5-2-4-14(10-15)11-21(27)26-17-8-9-19(20(13-17)32(24,29)30)31-18-7-3-6-16(23)12-18/h3-11,13-14H,12H2,1-2H3,(H,26,28)(H2,25,30,31);2-10,12-13H,11H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30).
What are the key properties of 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide?
3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 961.90 g/mol, XLogP of 6.98, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 158249317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).