[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate

C20H18ClNO4S — CID 7701909

IUPAC[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESC[C@@H](OC(=O)CSc1cccc2cccc(Cl)c12)C(=O)NCc1ccco1
InChIInChI=1S/C20H18ClNO4S/c1-13(20(24)22-11-15-7-4-10-25-15)26-18(23)12-27-17-9-3-6-14-5-2-8-16(21)19(14)17/h2-10,13H,11-12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeySAINPUIUZVJPED-CYBMUJFWSA-N
MW403.89 g/mol
LogP4.43
Rot. Bonds7

About [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate (PubChem CID 7701909) has the molecular formula C20H18ClNO4S and a molecular weight of 403.89 g/mol. Its IUPAC name is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate.

Molecular Properties

Compound Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
PubChem CID7701909
Molecular FormulaC20H18ClNO4S
Molecular Weight403.89 g/mol
Exact Mass403.06
IUPAC Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESC[C@@H](OC(=O)CSc1cccc2cccc(Cl)c12)C(=O)NCc1ccco1
InChIInChI=1S/C20H18ClNO4S/c1-13(20(24)22-11-15-7-4-10-25-15)26-18(23)12-27-17-9-3-6-14-5-2-8-16(21)19(14)17/h2-10,13H,11-12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeySAINPUIUZVJPED-CYBMUJFWSA-N
XLogP4.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate with MolForge

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Related Compounds

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 8013492
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 9417530
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 46688247
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909333
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate
CID 24686555
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7429400
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 7820560
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705386
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 8948018
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724166
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631415

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate (CID 7701909) is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate.
What is the SMILES notation for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The canonical SMILES for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate is C[C@@H](OC(=O)CSc1cccc2cccc(Cl)c12)C(=O)NCc1ccco1.
What is the InChIKey of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The InChIKey is SAINPUIUZVJPED-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18ClNO4S/c1-13(20(24)22-11-15-7-4-10-25-15)26-18(23)12-27-17-9-3-6-14-5-2-8-16(21)19(14)17/h2-10,13H,11-12H2,1H3,(H,22,24)/t13-/m1/s1.
What are the key properties of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate has a molecular weight of 403.89 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate is sourced from PubChem (CID 7701909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).