N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C22H26N2O6S — CID 55390501

IUPACN-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OCC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)cc1)c1ccco1
InChIInChI=1S/C22H26N2O6S/c25-21(24(17-4-1-2-5-17)18-11-13-31(27,28)15-18)14-30-19-9-7-16(8-10-19)23-22(26)20-6-3-12-29-20/h3,6-10,12,17-18H,1-2,4-5,11,13-15H2,(H,23,26)
InChIKeyGDRRJZIZEVYGHT-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.87
Rot. Bonds7

About N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 55390501) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID55390501
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC NameN-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OCC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)cc1)c1ccco1
InChIInChI=1S/C22H26N2O6S/c25-21(24(17-4-1-2-5-17)18-11-13-31(27,28)15-18)14-30-19-9-7-16(8-10-19)23-22(26)20-6-3-12-29-20/h3,6-10,12,17-18H,1-2,4-5,11,13-15H2,(H,23,26)
InChIKeyGDRRJZIZEVYGHT-UHFFFAOYSA-N
XLogP2.87
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55926331
N-[3-[2-[(1,1-dioxothiolan-3-yl)-prop-2-enylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55984262
2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide
CID 24562064
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
2-(4-cyanophenoxy)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2576465
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55943703
methyl 4-[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 9417003
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002010
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002011
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 17473544
[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9416038
[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9416033

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 55390501) is N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide is O=C(Nc1ccc(OCC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)cc1)c1ccco1.
What is the InChIKey of N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is GDRRJZIZEVYGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c25-21(24(17-4-1-2-5-17)18-11-13-31(27,28)15-18)14-30-19-9-7-16(8-10-19)23-22(26)20-6-3-12-29-20/h3,6-10,12,17-18H,1-2,4-5,11,13-15H2,(H,23,26).
What are the key properties of N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55390501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).