2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide

C17H22N2O3S — CID 94486660

IUPAC2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
SMILESCCCN(C(=O)CSCC(N)=O)[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O3S/c1-3-8-19(17(21)11-23-10-16(18)20)12(2)15-9-13-6-4-5-7-14(13)22-15/h4-7,9,12H,3,8,10-11H2,1-2H3,(H2,18,20)/t12-/m1/s1
InChIKeyDWAJPEFMDPGCGN-GFCCVEGCSA-N
MW334.44 g/mol
LogP2.95
Rot. Bonds8

About 2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide

2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 94486660) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID94486660
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
SMILESCCCN(C(=O)CSCC(N)=O)[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O3S/c1-3-8-19(17(21)11-23-10-16(18)20)12(2)15-9-13-6-4-5-7-14(13)22-15/h4-7,9,12H,3,8,10-11H2,1-2H3,(H2,18,20)/t12-/m1/s1
InChIKeyDWAJPEFMDPGCGN-GFCCVEGCSA-N
XLogP2.95
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
CID 60569346
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119750740
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
N-[1-(1-benzofuran-2-yl)ethyl]-1-oxido-N-propylpyridin-1-ium-2-carboxamide
CID 75493606
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486629
(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486627
4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide
CID 94660712
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-(methylamino)acetamide
CID 119748635
2-[[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60503344
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
CID 94486607
N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide
CID 60569015
5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide
CID 120625514

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide (CID 94486660) is 2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide is CCCN(C(=O)CSCC(N)=O)[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of 2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is DWAJPEFMDPGCGN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-8-19(17(21)11-23-10-16(18)20)12(2)15-9-13-6-4-5-7-14(13)22-15/h4-7,9,12H,3,8,10-11H2,1-2H3,(H2,18,20)/t12-/m1/s1.
What are the key properties of 2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide?
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 334.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 94486660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).