[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C16H20N2O5S — CID 9414507

IUPAC[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCN(CC(=O)NC1CC1)C(=O)COC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C16H20N2O5S/c1-18(9-14(20)17-11-4-5-11)15(21)10-23-16(22)7-6-12(19)13-3-2-8-24-13/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,20)
InChIKeyQSMHWUYTNSZCRN-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.99
Rot. Bonds9

About [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 9414507) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID9414507
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCN(CC(=O)NC1CC1)C(=O)COC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C16H20N2O5S/c1-18(9-14(20)17-11-4-5-11)15(21)10-23-16(22)7-6-12(19)13-3-2-8-24-13/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,20)
InChIKeyQSMHWUYTNSZCRN-UHFFFAOYSA-N
XLogP0.99
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate with MolForge

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Related Compounds

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate
CID 43031578
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119476525
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9417359
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55397454
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2419996
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287
N-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549410
[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2367156
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130632
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119457150
3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338225

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 9414507) is [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is CN(CC(=O)NC1CC1)C(=O)COC(=O)CCC(=O)c1cccs1.
What is the InChIKey of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is QSMHWUYTNSZCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-18(9-14(20)17-11-4-5-11)15(21)10-23-16(22)7-6-12(19)13-3-2-8-24-13/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,20).
What are the key properties of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 352.41 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 9414507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).