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

C16H14Cl2N2OS — CID 8800613

IUPACN-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2OS/c17-12-7-14(18)16(19-8-12)20-15(21)9-22-13-5-4-10-2-1-3-11(10)6-13/h4-8H,1-3,9H2,(H,19,20,21)
InChIKeyJXOOYIRKMBBFRT-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.61
Rot. Bonds4

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

N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide (PubChem CID 8800613) has the molecular formula C16H14Cl2N2OS and a molecular weight of 353.27 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
PubChem CID8800613
Molecular FormulaC16H14Cl2N2OS
Molecular Weight353.27 g/mol
Exact Mass352.02
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2OS/c17-12-7-14(18)16(19-8-12)20-15(21)9-22-13-5-4-10-2-1-3-11(10)6-13/h4-8H,1-3,9H2,(H,19,20,21)
InChIKeyJXOOYIRKMBBFRT-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535572
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8800367
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 51121209
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide
CID 86970630
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 29219410
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
CID 18274914
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55548513
2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8538814
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517898
4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
CID 51192768

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide (CID 8800613) is N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide is O=C(CSc1ccc2c(c1)CCC2)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The InChIKey is JXOOYIRKMBBFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2OS/c17-12-7-14(18)16(19-8-12)20-15(21)9-22-13-5-4-10-2-1-3-11(10)6-13/h4-8H,1-3,9H2,(H,19,20,21).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide has a molecular weight of 353.27 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide is sourced from PubChem (CID 8800613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).