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

C20H23NO2S — CID 100692443

IUPACN-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide
SMILESC[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)CCSc1ccccc1
InChIInChI=1S/C20H23NO2S/c1-15(13-16-7-8-19-17(14-16)9-11-23-19)21-20(22)10-12-24-18-5-3-2-4-6-18/h2-8,14-15H,9-13H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyBHJOFUFLWJEKRU-HNNXBMFYSA-N
MW341.48 g/mol
LogP3.85
Rot. Bonds7

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

N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide (PubChem CID 100692443) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide
PubChem CID100692443
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide
SMILESC[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)CCSc1ccccc1
InChIInChI=1S/C20H23NO2S/c1-15(13-16-7-8-19-17(14-16)9-11-23-19)21-20(22)10-12-24-18-5-3-2-4-6-18/h2-8,14-15H,9-13H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyBHJOFUFLWJEKRU-HNNXBMFYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide
CID 100692740
2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 100692416
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 91813491
2-chloro-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]benzamide
CID 100691959
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(4-methylsulfonylphenyl)propanamide
CID 100693287
N-butan-2-yl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanamide
CID 61022339
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride
CID 18352745
1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813585
1-(1,3-benzodioxol-5-yl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813586
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 134036096
1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea
CID 100694552

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide (CID 100692443) is N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide is C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)CCSc1ccccc1.
What is the InChIKey of N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide?
The InChIKey is BHJOFUFLWJEKRU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15(13-16-7-8-19-17(14-16)9-11-23-19)21-20(22)10-12-24-18-5-3-2-4-6-18/h2-8,14-15H,9-13H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide?
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide has a molecular weight of 341.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 100692443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).