1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione

C23H25N3O3S — CID 162532077

IUPAC1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccc3c(c2)CCN3Sc2cccc(OC3CCCC3)c2)C(=O)N1
InChIInChI=1S/C23H25N3O3S/c27-22-15-25(23(28)24-22)14-16-8-9-21-17(12-16)10-11-26(21)30-20-7-3-6-19(13-20)29-18-4-1-2-5-18/h3,6-9,12-13,18H,1-2,4-5,10-11,14-15H2,(H,24,27,28)
InChIKeyGFAQIAXDULHDOJ-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.13
Rot. Bonds6

About 1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione

1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 162532077) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione
PubChem CID162532077
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccc3c(c2)CCN3Sc2cccc(OC3CCCC3)c2)C(=O)N1
InChIInChI=1S/C23H25N3O3S/c27-22-15-25(23(28)24-22)14-16-8-9-21-17(12-16)10-11-26(21)30-20-7-3-6-19(13-20)29-18-4-1-2-5-18/h3,6-9,12-13,18H,1-2,4-5,10-11,14-15H2,(H,24,27,28)
InChIKeyGFAQIAXDULHDOJ-UHFFFAOYSA-N
XLogP4.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione (CID 162532077) is 1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione is O=C1CN(Cc2ccc3c(c2)CCN3Sc2cccc(OC3CCCC3)c2)C(=O)N1.
What is the InChIKey of 1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is GFAQIAXDULHDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-22-15-25(23(28)24-22)14-16-8-9-21-17(12-16)10-11-26(21)30-20-7-3-6-19(13-20)29-18-4-1-2-5-18/h3,6-9,12-13,18H,1-2,4-5,10-11,14-15H2,(H,24,27,28).
What are the key properties of 1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione?
1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 423.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 162532077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).