[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

C18H22N2O8S2 — CID 55644016

IUPAC[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C18H22N2O8S2/c1-4-26-18(23)15-11(7-10(2)3)9-29-16(15)20-13(21)8-27-17(22)12-5-6-14(28-12)30(19,24)25/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21)(H2,19,24,25)
InChIKeySVXPBFIHQXCZJK-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.16
Rot. Bonds9

About [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55644016) has the molecular formula C18H22N2O8S2 and a molecular weight of 458.51 g/mol. Its IUPAC name is [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55644016
Molecular FormulaC18H22N2O8S2
Molecular Weight458.51 g/mol
Exact Mass458.08
IUPAC Name[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C18H22N2O8S2/c1-4-26-18(23)15-11(7-10(2)3)9-29-16(15)20-13(21)8-27-17(22)12-5-6-14(28-12)30(19,24)25/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21)(H2,19,24,25)
InChIKeySVXPBFIHQXCZJK-UHFFFAOYSA-N
XLogP2.16
TPSA155.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate with MolForge

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Related Compounds

ethyl 2-[[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 7890647
ethyl 2-[[2-[2-(4-hydroxyphenyl)acetyl]oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 8671953
ethyl 2-[[2-(4-acetamidobenzoyl)oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 16520818
[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776327
ethyl 2-[[2-(3-hydroxynaphthalene-2-carbonyl)oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 4025513
ethyl 2-[[2-(3,5-difluorobenzoyl)oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 3265462
ethyl 4-(2-methylpropyl)-2-[[2-(4-oxopentanoyloxy)acetyl]amino]thiophene-3-carboxylate
CID 8613426
ethyl 2-[[2-(1-hydroxycyclohexanecarbonyl)oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 24590679
ethyl 2-[[2-[(2E,4E)-hexa-2,4-dienoyl]oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 7779066
ethyl 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 33376887
[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 46426057
ethyl 2-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 7751534

Frequently Asked Questions

What is the IUPAC name of [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 55644016) is [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is SVXPBFIHQXCZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O8S2/c1-4-26-18(23)15-11(7-10(2)3)9-29-16(15)20-13(21)8-27-17(22)12-5-6-14(28-12)30(19,24)25/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21)(H2,19,24,25).
What are the key properties of [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 458.51 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55644016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).