4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide

C19H21ClN2O4S — CID 8964829

IUPAC4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-21-19(24)15-5-3-14(4-6-15)13-22(2)18(23)11-12-27(25,26)17-9-7-16(20)8-10-17/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyZIOCOBUWQQBTIA-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.52
Rot. Bonds7

About 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide

4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 8964829) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
PubChem CID8964829
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-21-19(24)15-5-3-14(4-6-15)13-22(2)18(23)11-12-27(25,26)17-9-7-16(20)8-10-17/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyZIOCOBUWQQBTIA-UHFFFAOYSA-N
XLogP2.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide 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

N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 31988550
4-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-methylamino]methyl]-N-methylbenzamide
CID 51233025
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 55455837
N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
CID 64698778
2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38743723
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257
3-(4-chlorophenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 9020428
4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide
CID 8967214
N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
CID 8965301
N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
CID 110409524
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide (CID 8964829) is 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is ZIOCOBUWQQBTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-21-19(24)15-5-3-14(4-6-15)13-22(2)18(23)11-12-27(25,26)17-9-7-16(20)8-10-17/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide?
4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 408.91 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 8964829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).