2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide

C20H19N3OS — CID 55548513

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C20H19N3OS/c24-20(14-25-18-10-9-15-5-4-6-16(15)13-18)21-19-11-12-23(22-19)17-7-2-1-3-8-17/h1-3,7-13H,4-6,14H2,(H,21,22,24)
InChIKeyINCHTAPPBZRQCI-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.09
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide (PubChem CID 55548513) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide
PubChem CID55548513
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C20H19N3OS/c24-20(14-25-18-10-9-15-5-4-6-16(15)13-18)21-19-11-12-23(22-19)17-7-2-1-3-8-17/h1-3,7-13H,4-6,14H2,(H,21,22,24)
InChIKeyINCHTAPPBZRQCI-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 29371198
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
CID 18274914
N-[3-(benzylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 86961423
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357695
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8800613
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517898
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]butanoic acid
CID 43388183
1-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81164289
4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
CID 51192768
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide (CID 55548513) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide is O=C(CSc1ccc2c(c1)CCC2)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The InChIKey is INCHTAPPBZRQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-20(14-25-18-10-9-15-5-4-6-16(15)13-18)21-19-11-12-23(22-19)17-7-2-1-3-8-17/h1-3,7-13H,4-6,14H2,(H,21,22,24).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 55548513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).