[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate

C13H17NO5S — CID 18169787

IUPAC[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
SMILESCOCC(C)NC(=O)COC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C13H17NO5S/c1-8(6-18-3)14-12(16)7-19-13(17)11-5-4-10(20-11)9(2)15/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyCTRWOMBQJYKKLU-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.26
Rot. Bonds7

About [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate

[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate (PubChem CID 18169787) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
PubChem CID18169787
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
SMILESCOCC(C)NC(=O)COC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C13H17NO5S/c1-8(6-18-3)14-12(16)7-19-13(17)11-5-4-10(20-11)9(2)15/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyCTRWOMBQJYKKLU-UHFFFAOYSA-N
XLogP1.26
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9086988
[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate
CID 97020215
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-amino-2-chlorobenzoate
CID 115936108
[2-oxo-2-(prop-2-enylamino)ethyl] 5-acetylthiophene-2-carboxylate
CID 18123166
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123172
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-acetylthiophene-2-carboxylate
CID 46659733
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 18169821
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 55562938
[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192441
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61487898

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
The IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate (CID 18169787) is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate.
What is the SMILES notation for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
The canonical SMILES for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate is COCC(C)NC(=O)COC(=O)c1ccc(C(C)=O)s1.
What is the InChIKey of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
The InChIKey is CTRWOMBQJYKKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-8(6-18-3)14-12(16)7-19-13(17)11-5-4-10(20-11)9(2)15/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate is sourced from PubChem (CID 18169787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).