diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate

C15H22N2O5S — CID 14842194

IUPACdiethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate
SMILESCCOC(=O)CCC(NC(=O)c1ccc(NC)s1)C(=O)OCC
InChIInChI=1S/C15H22N2O5S/c1-4-21-13(18)9-6-10(15(20)22-5-2)17-14(19)11-7-8-12(16-3)23-11/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyOIUDYHGOODXYDK-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.79
Rot. Bonds9

About diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate

diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate (PubChem CID 14842194) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate.

Molecular Properties

Compound Namediethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate
PubChem CID14842194
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Namediethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate
SMILESCCOC(=O)CCC(NC(=O)c1ccc(NC)s1)C(=O)OCC
InChIInChI=1S/C15H22N2O5S/c1-4-21-13(18)9-6-10(15(20)22-5-2)17-14(19)11-7-8-12(16-3)23-11/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyOIUDYHGOODXYDK-UHFFFAOYSA-N
XLogP1.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate
CID 10087888
diethyl 2-[(5-bromothiophene-2-carbonyl)amino]pentanedioate
CID 75164214
diethyl (2S)-2-[[5-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propylamino]thiophene-2-carbonyl]amino]pentanedioate
CID 135485646
diethyl (2S)-2-[[2-(methylamino)benzoyl]amino]pentanedioate
CID 70540033
diethyl (2S)-2-[(4-formylbenzoyl)amino]pentanedioate
CID 13345227
diethyl (2S)-2-[(4-amino-3-methylbenzoyl)amino]pentanedioate
CID 14986741
diethyl (2S)-2-[[4-(2-fluoroethylamino)benzoyl]amino]pentanedioate
CID 12919922
diethyl (2R)-2-[(2-bromo-1,3-thiazole-4-carbonyl)amino]pentanedioate
CID 70110304
diethyl 2-[[4-(2-oxoethylamino)benzoyl]amino]pentanedioate
CID 71333622
diethyl 2-[[4-[(4-methylbenzoyl)amino]benzoyl]amino]pentanedioate
CID 3495215
diethyl (2S)-2-[[4-(prop-2-enylamino)benzoyl]amino]pentanedioate
CID 12919868
diethyl 2-[(6-bromopyridine-3-carbonyl)amino]pentanedioate
CID 123619721

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate?
The IUPAC name of diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate (CID 14842194) is diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate.
What is the SMILES notation for diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate?
The canonical SMILES for diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate is CCOC(=O)CCC(NC(=O)c1ccc(NC)s1)C(=O)OCC.
What is the InChIKey of diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate?
The InChIKey is OIUDYHGOODXYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-4-21-13(18)9-6-10(15(20)22-5-2)17-14(19)11-7-8-12(16-3)23-11/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,19).
What are the key properties of diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate?
diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate has a molecular weight of 342.42 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate is sourced from PubChem (CID 14842194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).