naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate

C18H15NO3S — CID 926068

IUPACnaphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCc1cccc2ccccc12
InChIInChI=1S/C18H15NO3S/c20-17(11-19-18(21)16-9-4-10-23-16)22-12-14-7-3-6-13-5-1-2-8-15(13)14/h1-10H,11-12H2,(H,19,21)
InChIKeyHWQCZSJDADRKBM-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.37
Rot. Bonds5

About naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate

naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate (PubChem CID 926068) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate
PubChem CID926068
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Namenaphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCc1cccc2ccccc12
InChIInChI=1S/C18H15NO3S/c20-17(11-19-18(21)16-9-4-10-23-16)22-12-14-7-3-6-13-5-1-2-8-15(13)14/h1-10H,11-12H2,(H,19,21)
InChIKeyHWQCZSJDADRKBM-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158543
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
(3-oxobenzo[f]chromen-1-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 7807973
naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899325
N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 110909020
3-(naphthalen-1-ylmethoxy)-3-oxopropanoic acid
CID 19783487
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
(3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 7807944
methyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate
CID 957235
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate (CID 926068) is naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate is O=C(CNC(=O)c1cccs1)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is HWQCZSJDADRKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c20-17(11-19-18(21)16-9-4-10-23-16)22-12-14-7-3-6-13-5-1-2-8-15(13)14/h1-10H,11-12H2,(H,19,21).
What are the key properties of naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate?
naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 325.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 926068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).