naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

C20H18N2O4S — CID 3158543

IUPACnaphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C20H18N2O4S/c23-18(11-22-20(25)17-9-4-10-27-17)21-12-19(24)26-13-15-7-3-6-14-5-1-2-8-16(14)15/h1-10H,11-13H2,(H,21,23)(H,22,25)
InChIKeyYHNMXBKVAMBFKW-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.49
Rot. Bonds7

About naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 3158543) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID3158543
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Namenaphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C20H18N2O4S/c23-18(11-22-20(25)17-9-4-10-27-17)21-12-19(24)26-13-15-7-3-6-14-5-1-2-8-16(14)15/h1-10H,11-13H2,(H,21,23)(H,22,25)
InChIKeyYHNMXBKVAMBFKW-UHFFFAOYSA-N
XLogP2.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate
CID 926068
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 110909020
(4-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158551
(3-oxobenzo[f]chromen-1-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 7807973
N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9270265
2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 7676413
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
naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899325
methyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate
CID 957235

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 3158543) is naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is O=C(CNC(=O)c1cccs1)NCC(=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is YHNMXBKVAMBFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c23-18(11-22-20(25)17-9-4-10-27-17)21-12-19(24)26-13-15-7-3-6-14-5-1-2-8-16(14)15/h1-10H,11-13H2,(H,21,23)(H,22,25).
What are the key properties of naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 382.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 3158543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).