3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide

C22H28ClN3O4S — CID 55379596

IUPAC3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C22H28ClN3O4S/c1-5-26(6-2)31(29,30)21-13-18(11-12-19(21)23)25-22(28)14-20(24-16(4)27)17-9-7-15(3)8-10-17/h7-13,20H,5-6,14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyPMCYRYNKWUQBFO-UHFFFAOYSA-N
MW466.00 g/mol
LogP3.88
Rot. Bonds9

About 3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 55379596) has the molecular formula C22H28ClN3O4S and a molecular weight of 466.00 g/mol. Its IUPAC name is 3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide
PubChem CID55379596
Molecular FormulaC22H28ClN3O4S
Molecular Weight466.00 g/mol
Exact Mass465.15
IUPAC Name3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C22H28ClN3O4S/c1-5-26(6-2)31(29,30)21-13-18(11-12-19(21)23)25-22(28)14-20(24-16(4)27)17-9-7-15(3)8-10-17/h7-13,20H,5-6,14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyPMCYRYNKWUQBFO-UHFFFAOYSA-N
XLogP3.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.00
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
CID 55799139
methyl 5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-chlorobenzoate
CID 55556906
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55377378
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
4-[4-chloro-3-(diethylsulfamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133535
2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 78780498
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide (CID 55379596) is 3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)ccc1Cl.
What is the InChIKey of 3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is PMCYRYNKWUQBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4S/c1-5-26(6-2)31(29,30)21-13-18(11-12-19(21)23)25-22(28)14-20(24-16(4)27)17-9-7-15(3)8-10-17/h7-13,20H,5-6,14H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 466.00 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 55379596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).