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

C17H19N3O3S — CID 46386198

IUPAC1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C17H19N3O3S/c1-12-5-3-4-6-15(12)19-17(21)18-14-8-7-13-9-10-20(16(13)11-14)24(2,22)23/h3-8,11H,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyNOKBPHZJVQHQCH-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.96
Rot. Bonds3

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

1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea (PubChem CID 46386198) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
PubChem CID46386198
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C17H19N3O3S/c1-12-5-3-4-6-15(12)19-17(21)18-14-8-7-13-9-10-20(16(13)11-14)24(2,22)23/h3-8,11H,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyNOKBPHZJVQHQCH-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
CID 110623662
1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386232
1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386236
1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea
CID 46384359
1-(3,4-dimethylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389828
1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386241
1-(2-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386154
1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389850
N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160417
1-(3-chloro-4-methylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-6-yl]urea
CID 46386031
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea (CID 46386198) is 1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea is Cc1ccccc1NC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2.
What is the InChIKey of 1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The InChIKey is NOKBPHZJVQHQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-5-3-4-6-15(12)19-17(21)18-14-8-7-13-9-10-20(16(13)11-14)24(2,22)23/h3-8,11H,9-10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea has a molecular weight of 345.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea is sourced from PubChem (CID 46386198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).