5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide

C16H16N2OS — CID 61305967

IUPAC5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide
SMILESNC(=O)c1cc(N)ccc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16N2OS/c17-12-5-7-15(14(9-12)16(18)19)20-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2,(H2,18,19)
InChIKeyLHGWDGPBZJQTPZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.01
Rot. Bonds3

About 5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide

5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide (PubChem CID 61305967) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide
PubChem CID61305967
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide
SMILESNC(=O)c1cc(N)ccc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16N2OS/c17-12-5-7-15(14(9-12)16(18)19)20-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2,(H2,18,19)
InChIKeyLHGWDGPBZJQTPZ-UHFFFAOYSA-N
XLogP3.01
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.01
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

2-amino-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3-fluorobenzoic acid
CID 83207426
5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide
CID 106956274
4-bromo-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)aniline
CID 65342711
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine
CID 106948786
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methoxybenzoic acid
CID 81301525
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
CID 43330702
2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63820160
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine
CID 79883506
2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide
CID 63033798
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
methyl 3-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzoate
CID 115935930
5-amino-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide
CID 56772874

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide?
The IUPAC name of 5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide (CID 61305967) is 5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide.
What is the SMILES notation for 5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide?
The canonical SMILES for 5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide is NC(=O)c1cc(N)ccc1Sc1ccc2c(c1)CCC2.
What is the InChIKey of 5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide?
The InChIKey is LHGWDGPBZJQTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-12-5-7-15(14(9-12)16(18)19)20-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2,(H2,18,19).
What are the key properties of 5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide?
5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide has a molecular weight of 284.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide is sourced from PubChem (CID 61305967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).