1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea

C24H23N3O2S — CID 53099544

IUPAC1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1
InChIInChI=1S/C24H23N3O2S/c1-30-21-9-5-8-20(15-21)26-24(29)25-16-17-10-11-18-12-13-27(22(18)14-17)23(28)19-6-3-2-4-7-19/h2-11,14-15H,12-13,16H2,1H3,(H2,25,26,29)
InChIKeyKBYDGAONQIQXOZ-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.93
Rot. Bonds5

About 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea

1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 53099544) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
PubChem CID53099544
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1
InChIInChI=1S/C24H23N3O2S/c1-30-21-9-5-8-20(15-21)26-24(29)25-16-17-10-11-18-12-13-27(22(18)14-17)23(28)19-6-3-2-4-7-19/h2-11,14-15H,12-13,16H2,1H3,(H2,25,26,29)
InChIKeyKBYDGAONQIQXOZ-UHFFFAOYSA-N
XLogP4.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
CID 53099512
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099751
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099712
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
1-(2-ethylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099740
1-(2-chlorophenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099435

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea (CID 53099544) is 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1.
What is the InChIKey of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is KBYDGAONQIQXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-30-21-9-5-8-20(15-21)26-24(29)25-16-17-10-11-18-12-13-27(22(18)14-17)23(28)19-6-3-2-4-7-19/h2-11,14-15H,12-13,16H2,1H3,(H2,25,26,29).
What are the key properties of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea?
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 417.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 53099544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).