[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate

C19H23NO4S — CID 3219064

IUPAC[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCCC(C)(C)NC(=O)C(OC(=O)c1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO4S/c1-5-19(2,3)20-17(21)16(13-8-10-14(23-4)11-9-13)24-18(22)15-7-6-12-25-15/h6-12,16H,5H2,1-4H3,(H,20,21)
InChIKeyLGOVKOVRAODDLV-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.96
Rot. Bonds7

About [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate

[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 3219064) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID3219064
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCCC(C)(C)NC(=O)C(OC(=O)c1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO4S/c1-5-19(2,3)20-17(21)16(13-8-10-14(23-4)11-9-13)24-18(22)15-7-6-12-25-15/h6-12,16H,5H2,1-4H3,(H,20,21)
InChIKeyLGOVKOVRAODDLV-UHFFFAOYSA-N
XLogP3.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate with MolForge

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Related Compounds

[2-(2-methylbutan-2-ylamino)-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate
CID 3864334
[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate
CID 7404259
[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 51684466
[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 3227610
[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 654711
[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate
CID 43814239
[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate
CID 43817599
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 54790218
[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470123
[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 46924888
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1470241

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 3219064) is [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate is CCC(C)(C)NC(=O)C(OC(=O)c1cccs1)c1ccc(OC)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is LGOVKOVRAODDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-5-19(2,3)20-17(21)16(13-8-10-14(23-4)11-9-13)24-18(22)15-7-6-12-25-15/h6-12,16H,5H2,1-4H3,(H,20,21).
What are the key properties of [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate?
[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 361.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 3219064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).