1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea

C24H25N3O3S — CID 46389735

IUPAC1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4cc(C)ccc4C)ccc32)cc1
InChIInChI=1S/C24H25N3O3S/c1-16-5-9-21(10-6-16)31(29,30)27-13-12-19-15-20(8-11-23(19)27)25-24(28)26-22-14-17(2)4-7-18(22)3/h4-11,14-15H,12-13H2,1-3H3,(H2,25,26,28)
InChIKeyQEVCPYQHFMMPJY-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.01
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea

1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea (PubChem CID 46389735) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea
PubChem CID46389735
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4cc(C)ccc4C)ccc32)cc1
InChIInChI=1S/C24H25N3O3S/c1-16-5-9-21(10-6-16)31(29,30)27-13-12-19-15-20(8-11-23(19)27)25-24(28)26-22-14-17(2)4-7-18(22)3/h4-11,14-15H,12-13H2,1-3H3,(H2,25,26,28)
InChIKeyQEVCPYQHFMMPJY-UHFFFAOYSA-N
XLogP5.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea 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

1-(3-chloro-4-methylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-6-yl]urea
CID 46386031
1-(3,4-dimethylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389828
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3-chloro-2-methylphenyl)urea
CID 46389785
ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate
CID 46389774
1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389850
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea
CID 46389771
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30374549
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
CID 20974765
1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carbonitrile
CID 71134780

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea (CID 46389735) is 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea is Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4cc(C)ccc4C)ccc32)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea?
The InChIKey is QEVCPYQHFMMPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-16-5-9-21(10-6-16)31(29,30)27-13-12-19-15-20(8-11-23(19)27)25-24(28)26-22-14-17(2)4-7-18(22)3/h4-11,14-15H,12-13H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea?
1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea has a molecular weight of 435.55 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea is sourced from PubChem (CID 46389735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).