2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C24H25ClN2O5S — CID 18891430

IUPAC2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-31-22-12-9-17(15-23(22)32-2)13-14-26-24(28)20-5-3-4-6-21(20)27-33(29,30)16-18-7-10-19(25)11-8-18/h3-12,15,27H,13-14,16H2,1-2H3,(H,26,28)
InChIKeyQVFBUPTWWWKPAQ-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.27
Rot. Bonds10

About 2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 18891430) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID18891430
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-31-22-12-9-17(15-23(22)32-2)13-14-26-24(28)20-5-3-4-6-21(20)27-33(29,30)16-18-7-10-19(25)11-8-18/h3-12,15,27H,13-14,16H2,1-2H3,(H,26,28)
InChIKeyQVFBUPTWWWKPAQ-UHFFFAOYSA-N
XLogP4.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 43885687
2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)butanoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 98055495
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide
CID 99954563
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
2-[(4-chlorophenyl)methylsulfonylamino]benzamide
CID 2227897
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 18891430) is 2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)Cc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is QVFBUPTWWWKPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-31-22-12-9-17(15-23(22)32-2)13-14-26-24(28)20-5-3-4-6-21(20)27-33(29,30)16-18-7-10-19(25)11-8-18/h3-12,15,27H,13-14,16H2,1-2H3,(H,26,28).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 488.99 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 18891430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).