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

C17H18ClNO3S — CID 9417530

IUPAC[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESC[C@@H](OC(=O)CSc1cccc2cccc(Cl)c12)C(=O)N(C)C
InChIInChI=1S/C17H18ClNO3S/c1-11(17(21)19(2)3)22-15(20)10-23-14-9-5-7-12-6-4-8-13(18)16(12)14/h4-9,11H,10H2,1-3H3/t11-/m1/s1
InChIKeyYZTRYGBSVYQRKV-LLVKDONJSA-N
MW351.86 g/mol
LogP3.61
Rot. Bonds5

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

[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate (PubChem CID 9417530) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate.

Molecular Properties

Compound Name[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
PubChem CID9417530
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESC[C@@H](OC(=O)CSc1cccc2cccc(Cl)c12)C(=O)N(C)C
InChIInChI=1S/C17H18ClNO3S/c1-11(17(21)19(2)3)22-15(20)10-23-14-9-5-7-12-6-4-8-13(18)16(12)14/h4-9,11H,10H2,1-3H3/t11-/m1/s1
InChIKeyYZTRYGBSVYQRKV-LLVKDONJSA-N
XLogP3.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7701952
2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
CID 78784198
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7701909
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 46688247
N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119581746
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51144283
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7985395
3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7701826
[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 3508705
N-(3-acetamido-2-methylphenyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 134019293
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7702097

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The IUPAC name of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate (CID 9417530) is [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate.
What is the SMILES notation for [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The canonical SMILES for [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate is C[C@@H](OC(=O)CSc1cccc2cccc(Cl)c12)C(=O)N(C)C.
What is the InChIKey of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The InChIKey is YZTRYGBSVYQRKV-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-11(17(21)19(2)3)22-15(20)10-23-14-9-5-7-12-6-4-8-13(18)16(12)14/h4-9,11H,10H2,1-3H3/t11-/m1/s1.
What are the key properties of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate has a molecular weight of 351.86 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate is sourced from PubChem (CID 9417530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).