N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide

C14H13NOS — CID 782642

IUPACN-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C14H13NOS/c16-14(13-5-2-8-17-13)15-12-7-6-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2,(H,15,16)
InChIKeyWXDIGLUEXCSXDA-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.49
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide (PubChem CID 782642) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide
PubChem CID782642
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C14H13NOS/c16-14(13-5-2-8-17-13)15-12-7-6-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2,(H,15,16)
InChIKeyWXDIGLUEXCSXDA-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide (CID 782642) is N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide?
The InChIKey is WXDIGLUEXCSXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c16-14(13-5-2-8-17-13)15-12-7-6-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2,(H,15,16).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 782642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).