N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide

C20H18N2O3S — CID 42651779

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)cc2ccccc21)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C20H18N2O3S/c23-20(21-17-10-11-26(24,25)14-17)13-22-18-9-5-4-8-16(18)12-19(22)15-6-2-1-3-7-15/h1-12,17H,13-14H2,(H,21,23)
InChIKeyMFMQRUBSXFPTAC-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.74
Rot. Bonds4

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide (PubChem CID 42651779) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide
PubChem CID42651779
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)cc2ccccc21)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C20H18N2O3S/c23-20(21-17-10-11-26(24,25)14-17)13-22-18-9-5-4-8-16(18)12-19(22)15-6-2-1-3-7-15/h1-12,17H,13-14H2,(H,21,23)
InChIKeyMFMQRUBSXFPTAC-UHFFFAOYSA-N
XLogP2.74
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide (CID 42651779) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide is O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide?
The InChIKey is MFMQRUBSXFPTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-20(21-17-10-11-26(24,25)14-17)13-22-18-9-5-4-8-16(18)12-19(22)15-6-2-1-3-7-15/h1-12,17H,13-14H2,(H,21,23).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide has a molecular weight of 366.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(2-phenylindol-1-yl)acetamide is sourced from PubChem (CID 42651779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).