methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate

C11H16N2O3S — CID 60703502

IUPACmethyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
SMILESCCCNCC(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C11H16N2O3S/c1-3-5-12-7-9(14)13-8-4-6-17-10(8)11(15)16-2/h4,6,12H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyQBJKWNVAZBCOFQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.47
Rot. Bonds6

About methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate (PubChem CID 60703502) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
PubChem CID60703502
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
SMILESCCCNCC(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C11H16N2O3S/c1-3-5-12-7-9(14)13-8-4-6-17-10(8)11(15)16-2/h4,6,12H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyQBJKWNVAZBCOFQ-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(propylcarbamothioylamino)thiophene-2-carboxylate
CID 19655448
methyl 3-[(2-butylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 43409254
methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703682
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-(3-methylpentanoylamino)thiophene-2-carboxylate
CID 114875732
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717
methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 26705042
methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
CID 114811453
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
CID 43623574
methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
CID 43408027
methyl 3-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
CID 103706057

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate (CID 60703502) is methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate is CCCNCC(=O)Nc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is QBJKWNVAZBCOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-5-12-7-9(14)13-8-4-6-17-10(8)11(15)16-2/h4,6,12H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 60703502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).