3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide

C19H18N2O3S — CID 66745713

IUPAC3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCS(=O)(=O)C3)c[nH]c12
InChIInChI=1S/C19H18N2O3S/c20-19(22)16-9-14(12-4-2-1-3-5-12)8-15-17(10-21-18(15)16)13-6-7-25(23,24)11-13/h1-5,8-10,13,21H,6-7,11H2,(H2,20,22)
InChIKeyVRUTUTVCAHXNHV-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.84
Rot. Bonds3

About 3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide

3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide (PubChem CID 66745713) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide
PubChem CID66745713
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCS(=O)(=O)C3)c[nH]c12
InChIInChI=1S/C19H18N2O3S/c20-19(22)16-9-14(12-4-2-1-3-5-12)8-15-17(10-21-18(15)16)13-6-7-25(23,24)11-13/h1-5,8-10,13,21H,6-7,11H2,(H2,20,22)
InChIKeyVRUTUTVCAHXNHV-UHFFFAOYSA-N
XLogP2.84
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide (CID 66745713) is 3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c(C3CCS(=O)(=O)C3)c[nH]c12.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is VRUTUTVCAHXNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c20-19(22)16-9-14(12-4-2-1-3-5-12)8-15-17(10-21-18(15)16)13-6-7-25(23,24)11-13/h1-5,8-10,13,21H,6-7,11H2,(H2,20,22).
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide?
3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 66745713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).