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

C17H16INOS — CID 18274914

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)Nc1cccc(I)c1
InChIInChI=1S/C17H16INOS/c18-14-5-2-6-15(10-14)19-17(20)11-21-16-8-7-12-3-1-4-13(12)9-16/h2,5-10H,1,3-4,11H2,(H,19,20)
InChIKeyDCTDSTFWUWTQFJ-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.51
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide (PubChem CID 18274914) has the molecular formula C17H16INOS and a molecular weight of 409.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
PubChem CID18274914
Molecular FormulaC17H16INOS
Molecular Weight409.29 g/mol
Exact Mass409.00
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)Nc1cccc(I)c1
InChIInChI=1S/C17H16INOS/c18-14-5-2-6-15(10-14)19-17(20)11-21-16-8-7-12-3-1-4-13(12)9-16/h2,5-10H,1,3-4,11H2,(H,19,20)
InChIKeyDCTDSTFWUWTQFJ-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 47262894
N-[3-(benzylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 86961423
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
CID 51192768
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,6-dichlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7466905
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 154850019
N-[3-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55720223
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 29371198
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46420851
N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2535856

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide (CID 18274914) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide is O=C(CSc1ccc2c(c1)CCC2)Nc1cccc(I)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide?
The InChIKey is DCTDSTFWUWTQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INOS/c18-14-5-2-6-15(10-14)19-17(20)11-21-16-8-7-12-3-1-4-13(12)9-16/h2,5-10H,1,3-4,11H2,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide has a molecular weight of 409.29 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 18274914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).