2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide

C25H26ClN3O6S — CID 43885687

IUPAC2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OC
InChIInChI=1S/C25H26ClN3O6S/c1-34-22-11-8-16(14-23(22)35-2)12-13-27-24(30)19-6-4-5-7-21(19)28-25(31)18-10-9-17(15-20(18)26)29-36(3,32)33/h4-11,14-15,29H,12-13H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyVCFZLJHCSBXFSX-UHFFFAOYSA-N
MW532.02 g/mol
LogP3.95
Rot. Bonds10

About 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide

2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide (PubChem CID 43885687) has the molecular formula C25H26ClN3O6S and a molecular weight of 532.02 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
PubChem CID43885687
Molecular FormulaC25H26ClN3O6S
Molecular Weight532.02 g/mol
Exact Mass531.12
IUPAC Name2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OC
InChIInChI=1S/C25H26ClN3O6S/c1-34-22-11-8-16(14-23(22)35-2)12-13-27-24(30)19-6-4-5-7-21(19)28-25(31)18-10-9-17(15-20(18)26)29-36(3,32)33/h4-11,14-15,29H,12-13H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyVCFZLJHCSBXFSX-UHFFFAOYSA-N
XLogP3.95
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.02
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)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

5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide
CID 99954563
2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 18891430
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 92680149
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide
CID 110790237
2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)butanoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 98055495
methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 99957500
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 30393729

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide (CID 43885687) is 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide is COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The InChIKey is VCFZLJHCSBXFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O6S/c1-34-22-11-8-16(14-23(22)35-2)12-13-27-24(30)19-6-4-5-7-21(19)28-25(31)18-10-9-17(15-20(18)26)29-36(3,32)33/h4-11,14-15,29H,12-13H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide?
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide has a molecular weight of 532.02 g/mol, XLogP of 3.95, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 43885687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).