ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate

C20H24N2O6S2 — CID 55630530

IUPACethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C20H24N2O6S2/c1-2-27-20(24)17-14(13-6-7-13)12-29-19(17)21-18(23)15-8-9-16(28-15)30(25,26)22-10-4-3-5-11-22/h8-9,12-13H,2-7,10-11H2,1H3,(H,21,23)
InChIKeyKIEYXNGNWVGDNP-UHFFFAOYSA-N
MW452.55 g/mol
LogP3.82
Rot. Bonds7

About ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 55630530) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate
PubChem CID55630530
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC Nameethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C20H24N2O6S2/c1-2-27-20(24)17-14(13-6-7-13)12-29-19(17)21-18(23)15-8-9-16(28-15)30(25,26)22-10-4-3-5-11-22/h8-9,12-13H,2-7,10-11H2,1H3,(H,21,23)
InChIKeyKIEYXNGNWVGDNP-UHFFFAOYSA-N
XLogP3.82
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
CID 55413880
ethyl 4-cyclopropyl-2-[(2-pyrrolidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 8901519
ethyl 4-cyclopropyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 51535452
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
ethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 55755588
ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate
CID 64593291
ethyl 2-(2-bromopropanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 114014241
ethyl 4-cyclopropyl-2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 55556647
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
ethyl 5-[4-[(1-methoxycarbonylcycloheptyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 47029743
ethyl 4-cyclopropyl-2-[(2-ethoxybenzoyl)amino]thiophene-3-carboxylate
CID 52897079

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate (CID 55630530) is ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is KIEYXNGNWVGDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c1-2-27-20(24)17-14(13-6-7-13)12-29-19(17)21-18(23)15-8-9-16(28-15)30(25,26)22-10-4-3-5-11-22/h8-9,12-13H,2-7,10-11H2,1H3,(H,21,23).
What are the key properties of ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 452.55 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 55630530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).