N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C17H17FN2O4S — CID 154775332

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)C1CC1c1ccco1
InChIInChI=1S/C17H17FN2O4S/c18-14-5-4-11(20-6-2-8-25(20,22)23)9-15(14)19-17(21)13-10-12(13)16-3-1-7-24-16/h1,3-5,7,9,12-13H,2,6,8,10H2,(H,19,21)
InChIKeyCLPAEABGFQIUSA-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.70
Rot. Bonds4

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 154775332) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID154775332
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)C1CC1c1ccco1
InChIInChI=1S/C17H17FN2O4S/c18-14-5-4-11(20-6-2-8-25(20,22)23)9-15(14)19-17(21)13-10-12(13)16-3-1-7-24-16/h1,3-5,7,9,12-13H,2,6,8,10H2,(H,19,21)
InChIKeyCLPAEABGFQIUSA-UHFFFAOYSA-N
XLogP2.70
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea
CID 60545704
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea
CID 60545734
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide
CID 71939158
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 75479542
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 87035677
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851788
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
(2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide
CID 94813431
methyl 4-chloro-3-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]benzoate
CID 86851547
trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95178804

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 154775332) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)C1CC1c1ccco1.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is CLPAEABGFQIUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-14-5-4-11(20-6-2-8-25(20,22)23)9-15(14)19-17(21)13-10-12(13)16-3-1-7-24-16/h1,3-5,7,9,12-13H,2,6,8,10H2,(H,19,21).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154775332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).