2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide

C16H19NO2S — CID 99873167

IUPAC2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide
SMILESC[C@H](Cc1ccoc1)NC(=O)CSCc1ccccc1
InChIInChI=1S/C16H19NO2S/c1-13(9-15-7-8-19-10-15)17-16(18)12-20-11-14-5-3-2-4-6-14/h2-8,10,13H,9,11-12H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyNDKSPAXKJHQHQB-CYBMUJFWSA-N
MW289.40 g/mol
LogP3.26
Rot. Bonds7

About 2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide

2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide (PubChem CID 99873167) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide
PubChem CID99873167
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide
SMILESC[C@H](Cc1ccoc1)NC(=O)CSCc1ccccc1
InChIInChI=1S/C16H19NO2S/c1-13(9-15-7-8-19-10-15)17-16(18)12-20-11-14-5-3-2-4-6-14/h2-8,10,13H,9,11-12H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyNDKSPAXKJHQHQB-CYBMUJFWSA-N
XLogP3.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650
N-[1-(furan-3-yl)propan-2-yl]-2-phenoxyacetamide
CID 121126979
2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 4051630
2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 100692416
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-phenylbenzamide
CID 99873173
3-[(2-benzylsulfanylacetyl)amino]-2-methylbutanoic acid
CID 113415799
2-[(2-benzylsulfanylacetyl)amino]-3-methylbutanoic acid
CID 43091556
2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252384
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 43238546
(2R)-2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 78975413

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide (CID 99873167) is 2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide is C[C@H](Cc1ccoc1)NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide?
The InChIKey is NDKSPAXKJHQHQB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13(9-15-7-8-19-10-15)17-16(18)12-20-11-14-5-3-2-4-6-14/h2-8,10,13H,9,11-12H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of 2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide?
2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 99873167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).