[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate

C17H16ClNO3S — CID 3508705

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESO=C(COC(=O)CSc1cccc2cccc(Cl)c12)NC1CC1
InChIInChI=1S/C17H16ClNO3S/c18-13-5-1-3-11-4-2-6-14(17(11)13)23-10-16(21)22-9-15(20)19-12-7-8-12/h1-6,12H,7-10H2,(H,19,20)
InChIKeyLBKFNSGNRKKDFX-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.41
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate (PubChem CID 3508705) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
PubChem CID3508705
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESO=C(COC(=O)CSc1cccc2cccc(Cl)c12)NC1CC1
InChIInChI=1S/C17H16ClNO3S/c18-13-5-1-3-11-4-2-6-14(17(11)13)23-10-16(21)22-9-15(20)19-12-7-8-12/h1-6,12H,7-10H2,(H,19,20)
InChIKeyLBKFNSGNRKKDFX-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7985398
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7985395
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 2513008
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 35563806
[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2096945
2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 32827422
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 35563802
N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443244
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
ethyl 2-[[2-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2114113
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7701826
[2-(cyclooctylamino)-2-oxoethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate
CID 4027929

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate (CID 3508705) is [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate is O=C(COC(=O)CSc1cccc2cccc(Cl)c12)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The InChIKey is LBKFNSGNRKKDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c18-13-5-1-3-11-4-2-6-14(17(11)13)23-10-16(21)22-9-15(20)19-12-7-8-12/h1-6,12H,7-10H2,(H,19,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate has a molecular weight of 349.84 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate is sourced from PubChem (CID 3508705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).