3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide

C24H24ClN3O4S — CID 55377378

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O4S/c1-16-3-13-22(14-4-16)33(31,32)28-21-11-9-20(10-12-21)27-24(30)15-23(26-17(2)29)18-5-7-19(25)8-6-18/h3-14,23,28H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyXXXFDNNMIYCYLO-UHFFFAOYSA-N
MW485.99 g/mol
LogP4.66
Rot. Bonds8

About 3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide (PubChem CID 55377378) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
PubChem CID55377378
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O4S/c1-16-3-13-22(14-4-16)33(31,32)28-21-11-9-20(10-12-21)27-24(30)15-23(26-17(2)29)18-5-7-19(25)8-6-18/h3-14,23,28H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyXXXFDNNMIYCYLO-UHFFFAOYSA-N
XLogP4.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
(3S)-3-acetamido-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-phenylpropanamide
CID 40862928
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752777
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26700777
3-acetamido-3-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 51195341

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide (CID 55377378) is 3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide is CC(=O)NC(CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
The InChIKey is XXXFDNNMIYCYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-16-3-13-22(14-4-16)33(31,32)28-21-11-9-20(10-12-21)27-24(30)15-23(26-17(2)29)18-5-7-19(25)8-6-18/h3-14,23,28H,15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide has a molecular weight of 485.99 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 55377378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).