[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate

C22H20N2O5S — CID 31219375

IUPAC[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESO=C(Nc1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)s1)c1ccco1
InChIInChI=1S/C22H20N2O5S/c25-20(17-4-3-13-28-17)23-19-10-9-18(30-19)22(27)29-14-15-5-7-16(8-6-15)21(26)24-11-1-2-12-24/h3-10,13H,1-2,11-12,14H2,(H,23,25)
InChIKeyGRSSMMDLKXAKEB-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.19
Rot. Bonds6

About [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate

[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 31219375) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
PubChem CID31219375
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESO=C(Nc1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)s1)c1ccco1
InChIInChI=1S/C22H20N2O5S/c25-20(17-4-3-13-28-17)23-19-10-9-18(30-19)22(27)29-14-15-5-7-16(8-6-15)21(26)24-11-1-2-12-24/h3-10,13H,1-2,11-12,14H2,(H,23,25)
InChIKeyGRSSMMDLKXAKEB-UHFFFAOYSA-N
XLogP4.19
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149772
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18226937
N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 49070793
N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55890673
N-[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 31314920
N-[5-[4-(6-methylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86941354
1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 55718156
[2-(2-methylpropylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149801
2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 46512241
(2-chloroquinolin-3-yl)methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 31219418
[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149797

Frequently Asked Questions

What is the IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate (CID 31219375) is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate is O=C(Nc1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)s1)c1ccco1.
What is the InChIKey of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is GRSSMMDLKXAKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c25-20(17-4-3-13-28-17)23-19-10-9-18(30-19)22(27)29-14-15-5-7-16(8-6-15)21(26)24-11-1-2-12-24/h3-10,13H,1-2,11-12,14H2,(H,23,25).
What are the key properties of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 424.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 31219375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).