N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide

C23H31N3O4S — CID 16891034

IUPACN-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C23H31N3O4S/c1-3-23(27)25-20-8-11-22(18(2)17-20)31(28,29)24-12-4-5-19-6-9-21(10-7-19)26-13-15-30-16-14-26/h6-11,17,24H,3-5,12-16H2,1-2H3,(H,25,27)
InChIKeyHIKBVOMWJQCWTJ-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.09
Rot. Bonds9

About N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide

N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide (PubChem CID 16891034) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide
PubChem CID16891034
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C23H31N3O4S/c1-3-23(27)25-20-8-11-22(18(2)17-20)31(28,29)24-12-4-5-19-6-9-21(10-7-19)26-13-15-30-16-14-26/h6-11,17,24H,3-5,12-16H2,1-2H3,(H,25,27)
InChIKeyHIKBVOMWJQCWTJ-UHFFFAOYSA-N
XLogP3.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]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

2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891005
N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649726
N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
CID 90558454
4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891028
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]-3-methylphenyl]acetamide
CID 42389371
4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890996
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 78792146
5-chloro-2-methyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890954
N-[3-(4-morpholin-4-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16891013
N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide
CID 16891041

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide (CID 16891034) is N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide?
The InChIKey is HIKBVOMWJQCWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-3-23(27)25-20-8-11-22(18(2)17-20)31(28,29)24-12-4-5-19-6-9-21(10-7-19)26-13-15-30-16-14-26/h6-11,17,24H,3-5,12-16H2,1-2H3,(H,25,27).
What are the key properties of N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide?
N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide has a molecular weight of 445.59 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 16891034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).