3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide

C22H26ClN3O6S — CID 55983444

IUPAC3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H26ClN3O6S/c1-26(2)22(28)15-7-9-19(31-3)18(11-15)25-21(27)14-6-8-17(23)20(12-14)33(29,30)24-13-16-5-4-10-32-16/h6-9,11-12,16,24H,4-5,10,13H2,1-3H3,(H,25,27)
InChIKeyVTPDZVMXVDJERX-UHFFFAOYSA-N
MW495.99 g/mol
LogP2.76
Rot. Bonds8

About 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide

3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide (PubChem CID 55983444) has the molecular formula C22H26ClN3O6S and a molecular weight of 495.99 g/mol. Its IUPAC name is 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide
PubChem CID55983444
Molecular FormulaC22H26ClN3O6S
Molecular Weight495.99 g/mol
Exact Mass495.12
IUPAC Name3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H26ClN3O6S/c1-26(2)22(28)15-7-9-19(31-3)18(11-15)25-21(27)14-6-8-17(23)20(12-14)33(29,30)24-13-16-5-4-10-32-16/h6-9,11-12,16,24H,4-5,10,13H2,1-3H3,(H,25,27)
InChIKeyVTPDZVMXVDJERX-UHFFFAOYSA-N
XLogP2.76
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide 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-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100829062
4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 3193347
4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514436
N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24644972
4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46799138
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
2-chloro-5-[(3-methylbutanoylamino)carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46514467
4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46798639

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide (CID 55983444) is 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide?
The InChIKey is VTPDZVMXVDJERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O6S/c1-26(2)22(28)15-7-9-19(31-3)18(11-15)25-21(27)14-6-8-17(23)20(12-14)33(29,30)24-13-16-5-4-10-32-16/h6-9,11-12,16,24H,4-5,10,13H2,1-3H3,(H,25,27).
What are the key properties of 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide?
3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide has a molecular weight of 495.99 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 55983444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).