3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide

C19H20N4O4S — CID 86893409

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C19H20N4O4S/c24-18(20-12-17-21-19(23-22-17)16-5-2-9-27-16)8-10-28(25,26)15-7-6-13-3-1-4-14(13)11-15/h2,5-7,9,11H,1,3-4,8,10,12H2,(H,20,24)(H,21,22,23)
InChIKeyOSMPTNSUPQMAPS-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.03
Rot. Bonds7

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide (PubChem CID 86893409) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
PubChem CID86893409
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C19H20N4O4S/c24-18(20-12-17-21-19(23-22-17)16-5-2-9-27-16)8-10-28(25,26)15-7-6-13-3-1-4-14(13)11-15/h2,5-7,9,11H,1,3-4,8,10,12H2,(H,20,24)(H,21,22,23)
InChIKeyOSMPTNSUPQMAPS-UHFFFAOYSA-N
XLogP2.03
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 71878786
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 56827435
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide
CID 110299974
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119461973
2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
CID 166403893
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone
CID 64642000
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide
CID 154862449
(2S)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96562381
1-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97224561
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-3-methyl-4-nitrobenzamide
CID 56827433

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide (CID 86893409) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide is O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCc1nc(-c2ccco2)n[nH]1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The InChIKey is OSMPTNSUPQMAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-18(20-12-17-21-19(23-22-17)16-5-2-9-27-16)8-10-28(25,26)15-7-6-13-3-1-4-14(13)11-15/h2,5-7,9,11H,1,3-4,8,10,12H2,(H,20,24)(H,21,22,23).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide has a molecular weight of 400.46 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide is sourced from PubChem (CID 86893409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).