N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide

C18H20ClN3O4S — CID 69346648

IUPACN-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-12(2)17(23)22(3)15-8-6-14(7-9-15)20-18(24)21-27(25,26)16-10-4-13(19)5-11-16/h4-12H,1-3H3,(H2,20,21,24)
InChIKeyAXDMEDMIVGRKLL-UHFFFAOYSA-N
MW409.90 g/mol
LogP3.47
Rot. Bonds5

About N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide

N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide (PubChem CID 69346648) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide
PubChem CID69346648
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC NameN-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-12(2)17(23)22(3)15-8-6-14(7-9-15)20-18(24)21-27(25,26)16-10-4-13(19)5-11-16/h4-12H,1-3H3,(H2,20,21,24)
InChIKeyAXDMEDMIVGRKLL-UHFFFAOYSA-N
XLogP3.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide 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

1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 134114974
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
1-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]-3-(4-chlorophenyl)sulfonylurea
CID 16734964
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea
CID 2359267
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
[2-[4-(dimethylamino)anilino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 2448249
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
(2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide
CID 91382068

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide (CID 69346648) is N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide?
The InChIKey is AXDMEDMIVGRKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-12(2)17(23)22(3)15-8-6-14(7-9-15)20-18(24)21-27(25,26)16-10-4-13(19)5-11-16/h4-12H,1-3H3,(H2,20,21,24).
What are the key properties of N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide?
N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide has a molecular weight of 409.90 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 69346648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).