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

C16H18N2OS — CID 79741558

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C16H18N2OS/c1-2-10-7-8-20-15(10)16(19)18-14-6-3-11-9-12(17)4-5-13(11)14/h4-5,7-9,14H,2-3,6,17H2,1H3,(H,18,19)
InChIKeyXKYXCFPKVSMBOJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.31
Rot. Bonds3

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

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide (PubChem CID 79741558) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide
PubChem CID79741558
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C16H18N2OS/c1-2-10-7-8-20-15(10)16(19)18-14-6-3-11-9-12(17)4-5-13(11)14/h4-5,7-9,14H,2-3,6,17H2,1H3,(H,18,19)
InChIKeyXKYXCFPKVSMBOJ-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79740729
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103403825
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79741279
N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 79741093
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-4-methylbenzamide
CID 79723797
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide (CID 79741558) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NC1CCc2cc(N)ccc21.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide?
The InChIKey is XKYXCFPKVSMBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-10-7-8-20-15(10)16(19)18-14-6-3-11-9-12(17)4-5-13(11)14/h4-5,7-9,14H,2-3,6,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 79741558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).