[2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate

C19H22N2O4S — CID 7418710

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)sc1C
InChIInChI=1S/C19H22N2O4S/c1-3-7-15-10-16(26-13(15)2)18(23)25-12-17(22)21-19(24)20-11-14-8-5-4-6-9-14/h4-6,8-10H,3,7,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyMYKIUUGPDJYONZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.19
Rot. Bonds7

About [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate

[2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate (PubChem CID 7418710) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
PubChem CID7418710
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)sc1C
InChIInChI=1S/C19H22N2O4S/c1-3-7-15-10-16(26-13(15)2)18(23)25-12-17(22)21-19(24)20-11-14-8-5-4-6-9-14/h4-6,8-10H,3,7,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyMYKIUUGPDJYONZ-UHFFFAOYSA-N
XLogP3.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683671
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418709
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 16516847
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418951
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418949
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418970
[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683646
[2-(4-methoxyanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683649
2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418690
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2122372
[2-(benzylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 2615873

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate (CID 7418710) is [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate is CCCc1cc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)sc1C.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The InChIKey is MYKIUUGPDJYONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-7-15-10-16(26-13(15)2)18(23)25-12-17(22)21-19(24)20-11-14-8-5-4-6-9-14/h4-6,8-10H,3,7,11-12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate is sourced from PubChem (CID 7418710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).