N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide

C19H18FNO2S — CID 9367760

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESC[C@@H](NC(=O)CCSc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H18FNO2S/c1-13(18-12-14-4-2-3-5-17(14)23-18)21-19(22)10-11-24-16-8-6-15(20)7-9-16/h2-9,12-13H,10-11H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyVPUOZGZSQPUJHD-CYBMUJFWSA-N
MW343.42 g/mol
LogP4.93
Rot. Bonds6

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 9367760) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID9367760
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESC[C@@H](NC(=O)CCSc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H18FNO2S/c1-13(18-12-14-4-2-3-5-17(14)23-18)21-19(22)10-11-24-16-8-6-15(20)7-9-16/h2-9,12-13H,10-11H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyVPUOZGZSQPUJHD-CYBMUJFWSA-N
XLogP4.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9369742
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9366932
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8595300
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide
CID 47098774
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094865
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide (CID 9367760) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide is C[C@@H](NC(=O)CCSc1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is VPUOZGZSQPUJHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-13(18-12-14-4-2-3-5-17(14)23-18)21-19(22)10-11-24-16-8-6-15(20)7-9-16/h2-9,12-13H,10-11H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 343.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 9367760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).