4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide

C25H27ClN2O5S — CID 3595994

IUPAC4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1OC
InChIInChI=1S/C25H27ClN2O5S/c1-16-11-17(2)13-20(12-16)28-34(30,31)24-15-19(6-7-21(24)26)25(29)27-10-9-18-5-8-22(32-3)23(14-18)33-4/h5-8,11-15,28H,9-10H2,1-4H3,(H,27,29)
InChIKeySLHZJDHBTQBBQT-UHFFFAOYSA-N
MW503.02 g/mol
LogP4.75
Rot. Bonds9

About 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide

4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 3595994) has the molecular formula C25H27ClN2O5S and a molecular weight of 503.02 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
PubChem CID3595994
Molecular FormulaC25H27ClN2O5S
Molecular Weight503.02 g/mol
Exact Mass502.13
IUPAC Name4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1OC
InChIInChI=1S/C25H27ClN2O5S/c1-16-11-17(2)13-20(12-16)28-34(30,31)24-15-19(6-7-21(24)26)25(29)27-10-9-18-5-8-22(32-3)23(14-18)33-4/h5-8,11-15,28H,9-10H2,1-4H3,(H,27,29)
InChIKeySLHZJDHBTQBBQT-UHFFFAOYSA-N
XLogP4.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.02
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide 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

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92671439
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 2232975
4-[(2-chloro-5-nitrophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 3370322
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373626
4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 28578090
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 55349910
4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 26458889
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide
CID 18082399
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
3-[(2-chlorophenyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 32735630
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 126416161
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
CID 17359975

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide (CID 3595994) is 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide is COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1OC.
What is the InChIKey of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is SLHZJDHBTQBBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5S/c1-16-11-17(2)13-20(12-16)28-34(30,31)24-15-19(6-7-21(24)26)25(29)27-10-9-18-5-8-22(32-3)23(14-18)33-4/h5-8,11-15,28H,9-10H2,1-4H3,(H,27,29).
What are the key properties of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide?
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 503.02 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3595994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).