2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C18H19NO2S — CID 18164391

IUPAC2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CSCc1ccccc1)NC1CCOc2ccccc21
InChIInChI=1S/C18H19NO2S/c20-18(13-22-12-14-6-2-1-3-7-14)19-16-10-11-21-17-9-5-4-8-15(16)17/h1-9,16H,10-13H2,(H,19,20)
InChIKeySBRACHJVBXSURV-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.56
Rot. Bonds5

About 2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 18164391) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID18164391
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CSCc1ccccc1)NC1CCOc2ccccc21
InChIInChI=1S/C18H19NO2S/c20-18(13-22-12-14-6-2-1-3-7-14)19-16-10-11-21-17-9-5-4-8-15(16)17/h1-9,16H,10-13H2,(H,19,20)
InChIKeySBRACHJVBXSURV-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17399471
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 41036714
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 30803635
2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133235655
N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 46524067
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 42897100
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 78912235
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 18096155
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 17421944

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 18164391) is 2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is O=C(CSCc1ccccc1)NC1CCOc2ccccc21.
What is the InChIKey of 2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is SBRACHJVBXSURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c20-18(13-22-12-14-6-2-1-3-7-14)19-16-10-11-21-17-9-5-4-8-15(16)17/h1-9,16H,10-13H2,(H,19,20).
What are the key properties of 2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 313.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 18164391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).