[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate

C17H20N2O5S — CID 18149797

IUPAC[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCC(C)CCNC(=O)COC(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C17H20N2O5S/c1-11(2)7-8-18-14(20)10-24-17(22)13-5-6-15(25-13)19-16(21)12-4-3-9-23-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUJBAPWWRJUJOQQ-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.91
Rot. Bonds8

About [2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate

[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 18149797) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is [2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
PubChem CID18149797
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCC(C)CCNC(=O)COC(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C17H20N2O5S/c1-11(2)7-8-18-14(20)10-24-17(22)13-5-6-15(25-13)19-16(21)12-4-3-9-23-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUJBAPWWRJUJOQQ-UHFFFAOYSA-N
XLogP2.91
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149801
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 31218911
2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 46512241
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 31219335
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149772
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55511428
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146656
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145
N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate (CID 18149797) is [2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for [2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for [2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate is CC(C)CCNC(=O)COC(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of [2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is UJBAPWWRJUJOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-11(2)7-8-18-14(20)10-24-17(22)13-5-6-15(25-13)19-16(21)12-4-3-9-23-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of [2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 18149797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).