N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide

C15H15FN2O3S2 — CID 94646793

IUPACN-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)N[C@@H]1CCc2cc(F)ccc21
InChIInChI=1S/C15H15FN2O3S2/c16-11-4-5-12-10(8-11)3-6-13(12)18-14(19)9-17-23(20,21)15-2-1-7-22-15/h1-2,4-5,7-8,13,17H,3,6,9H2,(H,18,19)/t13-/m1/s1
InChIKeyLDROCWXXTGFSNL-CYBMUJFWSA-N
MW354.43 g/mol
LogP1.97
Rot. Bonds5

About N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide

N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 94646793) has the molecular formula C15H15FN2O3S2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID94646793
Molecular FormulaC15H15FN2O3S2
Molecular Weight354.43 g/mol
Exact Mass354.05
IUPAC NameN-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)N[C@@H]1CCc2cc(F)ccc21
InChIInChI=1S/C15H15FN2O3S2/c16-11-4-5-12-10(8-11)3-6-13(12)18-14(19)9-17-23(20,21)15-2-1-7-22-15/h1-2,4-5,7-8,13,17H,3,6,9H2,(H,18,19)/t13-/m1/s1
InChIKeyLDROCWXXTGFSNL-CYBMUJFWSA-N
XLogP1.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide with MolForge

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Related Compounds

N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
N-(3-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615673
N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 166225563
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30274175
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 60556274
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
3-[2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
CID 120552371
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119745340
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 3238020

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide (CID 94646793) is N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide is O=C(CNS(=O)(=O)c1cccs1)N[C@@H]1CCc2cc(F)ccc21.
What is the InChIKey of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is LDROCWXXTGFSNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15FN2O3S2/c16-11-4-5-12-10(8-11)3-6-13(12)18-14(19)9-17-23(20,21)15-2-1-7-22-15/h1-2,4-5,7-8,13,17H,3,6,9H2,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide?
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 354.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 94646793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).