N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide

C16H16N2O2S — CID 18587982

IUPACN-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1cccs1
InChIInChI=1S/C16H16N2O2S/c1-17-16(20)14-9-11-5-2-3-7-13(11)18(14)15(19)10-12-6-4-8-21-12/h2-8,14H,9-10H2,1H3,(H,17,20)
InChIKeyVKRBSHGKPCQWLP-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.99
Rot. Bonds3

About N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide

N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 18587982) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
PubChem CID18587982
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1cccs1
InChIInChI=1S/C16H16N2O2S/c1-17-16(20)14-9-11-5-2-3-7-13(11)18(14)15(19)10-12-6-4-8-21-12/h2-8,14H,9-10H2,1H3,(H,17,20)
InChIKeyVKRBSHGKPCQWLP-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide (CID 18587982) is N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)Cc1cccs1.
What is the InChIKey of N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is VKRBSHGKPCQWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-17-16(20)14-9-11-5-2-3-7-13(11)18(14)15(19)10-12-6-4-8-21-12/h2-8,14H,9-10H2,1H3,(H,17,20).
What are the key properties of N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide?
N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18587982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).