1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea

C17H19N3O3S2 — CID 46386236

IUPAC1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCSc1ccc(NC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)cc1
InChIInChI=1S/C17H19N3O3S2/c1-24-15-7-5-13(6-8-15)18-17(21)19-14-4-3-12-9-10-20(16(12)11-14)25(2,22)23/h3-8,11H,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyXMOWQLQRCUVYRF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea

1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea (PubChem CID 46386236) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
PubChem CID46386236
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCSc1ccc(NC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)cc1
InChIInChI=1S/C17H19N3O3S2/c1-24-15-7-5-13(6-8-15)18-17(21)19-14-4-3-12-9-10-20(16(12)11-14)25(2,22)23/h3-8,11H,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyXMOWQLQRCUVYRF-UHFFFAOYSA-N
XLogP3.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-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-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389806
1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-methylsulfanylphenyl)urea
CID 46386100
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386232
1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386241
1-(3,4-dimethylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389828
1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389850
1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372783
1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 110303929
1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386113
N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160386
N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160438

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The IUPAC name of 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea (CID 46386236) is 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea is CSc1ccc(NC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The InChIKey is XMOWQLQRCUVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-24-15-7-5-13(6-8-15)18-17(21)19-14-4-3-12-9-10-20(16(12)11-14)25(2,22)23/h3-8,11H,9-10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea has a molecular weight of 377.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea is sourced from PubChem (CID 46386236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).