[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate

C15H16N2O5S — CID 9453608

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
SMILESCc1oc(C)c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C
InChIInChI=1S/C15H16N2O5S/c1-7-8(2)22-9(3)12(7)15(20)21-6-11(18)17-14-10(13(16)19)4-5-23-14/h4-5H,6H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyZNZNYUIDJVNSNE-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.16
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate (PubChem CID 9453608) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
PubChem CID9453608
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
SMILESCc1oc(C)c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C
InChIInChI=1S/C15H16N2O5S/c1-7-8(2)22-9(3)12(7)15(20)21-6-11(18)17-14-10(13(16)19)4-5-23-14/h4-5H,6H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyZNZNYUIDJVNSNE-UHFFFAOYSA-N
XLogP2.16
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate with MolForge

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569
[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 24524160
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 18099302
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521866
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 18158113
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983006
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 29344671
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605172
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561770
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55484700
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 16524597

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate (CID 9453608) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate is Cc1oc(C)c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate?
The InChIKey is ZNZNYUIDJVNSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-7-8(2)22-9(3)12(7)15(20)21-6-11(18)17-14-10(13(16)19)4-5-23-14/h4-5H,6H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate is sourced from PubChem (CID 9453608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).