2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide

C21H19NOS — CID 800367

IUPAC2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C21H19NOS/c23-20(14-24-13-15-5-2-1-3-6-15)22-19-12-11-17-10-9-16-7-4-8-18(19)21(16)17/h1-8,11-12H,9-10,13-14H2,(H,22,23)
InChIKeyKUVHBALRSLABLV-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.81
Rot. Bonds5

About 2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide

2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide (PubChem CID 800367) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
PubChem CID800367
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C21H19NOS/c23-20(14-24-13-15-5-2-1-3-6-15)22-19-12-11-17-10-9-16-7-4-8-18(19)21(16)17/h1-8,11-12H,9-10,13-14H2,(H,22,23)
InChIKeyKUVHBALRSLABLV-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 34574384
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 34573149
2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]acetamide
CID 6871697
2-benzylsulfanyl-N-phenylacetamide
CID 584914
2-benzylsulfanyl-N-(2-iodophenyl)acetamide
CID 4779995
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide
CID 23875149
N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18206563
N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 100511475
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide
CID 24562392
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 889563
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide (CID 800367) is 2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide is O=C(CSCc1ccccc1)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide?
The InChIKey is KUVHBALRSLABLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS/c23-20(14-24-13-15-5-2-1-3-6-15)22-19-12-11-17-10-9-16-7-4-8-18(19)21(16)17/h1-8,11-12H,9-10,13-14H2,(H,22,23).
What are the key properties of 2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide?
2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide is sourced from PubChem (CID 800367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).