3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

C22H28ClN3O5S — CID 55841887

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H28ClN3O5S/c1-14(2)11-18(22(28)24-3)26-21(27)16-7-10-19(31-4)20(12-16)32(29,30)25-13-15-5-8-17(23)9-6-15/h5-10,12,14,18,25H,11,13H2,1-4H3,(H,24,28)(H,26,27)
InChIKeyUQHDUVNJBPDQKJ-UHFFFAOYSA-N
MW482.00 g/mol
LogP2.72
Rot. Bonds10

About 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (PubChem CID 55841887) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
PubChem CID55841887
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H28ClN3O5S/c1-14(2)11-18(22(28)24-3)26-21(27)16-7-10-19(31-4)20(12-16)32(29,30)25-13-15-5-8-17(23)9-6-15/h5-10,12,14,18,25H,11,13H2,1-4H3,(H,24,28)(H,26,27)
InChIKeyUQHDUVNJBPDQKJ-UHFFFAOYSA-N
XLogP2.72
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55584298
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55843166
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 55387001
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776178
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
CID 55306878
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 55408146
3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 28557712

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (CID 55841887) is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is CNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The InChIKey is UQHDUVNJBPDQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-14(2)11-18(22(28)24-3)26-21(27)16-7-10-19(31-4)20(12-16)32(29,30)25-13-15-5-8-17(23)9-6-15/h5-10,12,14,18,25H,11,13H2,1-4H3,(H,24,28)(H,26,27).
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide has a molecular weight of 482.00 g/mol, XLogP of 2.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55841887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).