3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide

C18H20ClN3O4S — CID 29331543

IUPAC3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H20ClN3O4S/c1-21(2)18(24)13-6-4-8-15(10-13)20-17(23)12-22(27(3,25)26)16-9-5-7-14(19)11-16/h4-11H,12H2,1-3H3,(H,20,23)
InChIKeyCUEHTBDJSWOPHN-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.45
Rot. Bonds6

About 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 29331543) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID29331543
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H20ClN3O4S/c1-21(2)18(24)13-6-4-8-15(10-13)20-17(23)12-22(27(3,25)26)16-9-5-7-14(19)11-16/h4-11H,12H2,1-3H3,(H,20,23)
InChIKeyCUEHTBDJSWOPHN-UHFFFAOYSA-N
XLogP2.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
4-[[2-(3-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259268
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30257759
N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113157714
2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 3139153
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 846764
4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30272647
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 92672616
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide
CID 35230459

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide (CID 29331543) is 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1.
What is the InChIKey of 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is CUEHTBDJSWOPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-21(2)18(24)13-6-4-8-15(10-13)20-17(23)12-22(27(3,25)26)16-9-5-7-14(19)11-16/h4-11H,12H2,1-3H3,(H,20,23).
What are the key properties of 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 409.90 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 29331543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).