3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide

C21H27N3O4S — CID 55619533

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-15(2)23-21(26)14-17-4-9-18(10-5-17)24-20(25)13-8-16-6-11-19(12-7-16)29(27,28)22-3/h4-7,9-12,15,22H,8,13-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyCWIVNPMQFBTURP-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.23
Rot. Bonds9

About 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide

3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide (PubChem CID 55619533) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide
PubChem CID55619533
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-15(2)23-21(26)14-17-4-9-18(10-5-17)24-20(25)13-8-16-6-11-19(12-7-16)29(27,28)22-3/h4-7,9-12,15,22H,8,13-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyCWIVNPMQFBTURP-UHFFFAOYSA-N
XLogP2.23
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide 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

3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46518240
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 177005008
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 46521495
N-[4-(4-ethoxyphenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55363172
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072
3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 27650136
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-propan-2-ylpropanamide
CID 126356786
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide (CID 55619533) is 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide?
The InChIKey is CWIVNPMQFBTURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15(2)23-21(26)14-17-4-9-18(10-5-17)24-20(25)13-8-16-6-11-19(12-7-16)29(27,28)22-3/h4-7,9-12,15,22H,8,13-14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide?
3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide has a molecular weight of 417.53 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 55619533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).