2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide

C20H23NO2S — CID 100692416

IUPAC2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
SMILESC[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)CSCc1ccccc1
InChIInChI=1S/C20H23NO2S/c1-15(11-17-7-8-19-18(12-17)9-10-23-19)21-20(22)14-24-13-16-5-3-2-4-6-16/h2-8,12,15H,9-11,13-14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeySANDBQCSPMBKTR-HNNXBMFYSA-N
MW341.48 g/mol
LogP3.60
Rot. Bonds7

About 2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide

2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide (PubChem CID 100692416) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
PubChem CID100692416
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
SMILESC[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)CSCc1ccccc1
InChIInChI=1S/C20H23NO2S/c1-15(11-17-7-8-19-18(12-17)9-10-23-19)21-20(22)14-24-13-16-5-3-2-4-6-16/h2-8,12,15H,9-11,13-14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeySANDBQCSPMBKTR-HNNXBMFYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide
CID 100692443
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 91813491
3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide
CID 100692740
2-benzylsulfanyl-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]acetamide
CID 97042474
2-chloro-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]benzamide
CID 100691959
2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide
CID 99873167
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
1-(1,3-benzodioxol-5-yl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813586
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86950636
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(4-methylsulfonylphenyl)propanamide
CID 100693287
1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813585
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide (CID 100692416) is 2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide is C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide?
The InChIKey is SANDBQCSPMBKTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15(11-17-7-8-19-18(12-17)9-10-23-19)21-20(22)14-24-13-16-5-3-2-4-6-16/h2-8,12,15H,9-11,13-14H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide?
2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide has a molecular weight of 341.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide is sourced from PubChem (CID 100692416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).