N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide

C15H15ClN2OS — CID 103403825

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2CCc3cc(N)ccc32)c1Cl
InChIInChI=1S/C15H15ClN2OS/c1-8-7-20-14(13(8)16)15(19)18-12-5-2-9-6-10(17)3-4-11(9)12/h3-4,6-7,12H,2,5,17H2,1H3,(H,18,19)
InChIKeyMJSVGFOMOHTLTE-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.71
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103403825) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103403825
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2CCc3cc(N)ccc32)c1Cl
InChIInChI=1S/C15H15ClN2OS/c1-8-7-20-14(13(8)16)15(19)18-12-5-2-9-6-10(17)3-4-11(9)12/h3-4,6-7,12H,2,5,17H2,1H3,(H,18,19)
InChIKeyMJSVGFOMOHTLTE-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.71
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
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N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
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N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide
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N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-5-methylbenzamide
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N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
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N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
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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)-2-chlorofuran-3-carboxamide
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N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide (CID 103403825) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NC2CCc3cc(N)ccc32)c1Cl.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is MJSVGFOMOHTLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-8-7-20-14(13(8)16)15(19)18-12-5-2-9-6-10(17)3-4-11(9)12/h3-4,6-7,12H,2,5,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 3.71, 2 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-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103403825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).