1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea

C17H19N3O3S2 — CID 46389806

IUPAC1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
SMILESCSc1cccc(NC(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)c1
InChIInChI=1S/C17H19N3O3S2/c1-24-15-5-3-4-13(11-15)18-17(21)19-14-6-7-16-12(10-14)8-9-20(16)25(2,22)23/h3-7,10-11H,8-9H2,1-2H3,(H2,18,19,21)
InChIKeyASBMZKGZRBNGJX-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.37
Rot. Bonds4

About 1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea

1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea (PubChem CID 46389806) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
PubChem CID46389806
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
SMILESCSc1cccc(NC(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)c1
InChIInChI=1S/C17H19N3O3S2/c1-24-15-5-3-4-13(11-15)18-17(21)19-14-6-7-16-12(10-14)8-9-20(16)25(2,22)23/h3-7,10-11H,8-9H2,1-2H3,(H2,18,19,21)
InChIKeyASBMZKGZRBNGJX-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

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Related Compounds

1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386236
1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-methylsulfanylphenyl)urea
CID 46386100
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-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 110303929
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
3-(2-fluorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide
CID 110623465
N-(3-methylsulfanylphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513206
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea (CID 46389806) is 1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea is CSc1cccc(NC(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)c1.
What is the InChIKey of 1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
The InChIKey is ASBMZKGZRBNGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-24-15-5-3-4-13(11-15)18-17(21)19-14-6-7-16-12(10-14)8-9-20(16)25(2,22)23/h3-7,10-11H,8-9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-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-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 46389806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).