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

C20H21FN2O3S — CID 71939158

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)C1(c2ccccc2)CCC1
InChIInChI=1S/C20H21FN2O3S/c21-17-9-8-16(23-12-5-13-27(23,25)26)14-18(17)22-19(24)20(10-4-11-20)15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,22,24)
InChIKeyHVRVIPMIPMXDAN-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.43
Rot. Bonds4

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

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 71939158) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID71939158
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)C1(c2ccccc2)CCC1
InChIInChI=1S/C20H21FN2O3S/c21-17-9-8-16(23-12-5-13-27(23,25)26)14-18(17)22-19(24)20(10-4-11-20)15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,22,24)
InChIKeyHVRVIPMIPMXDAN-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea
CID 60545704
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 75479542
3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 87035677
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]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 154775332
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide
CID 55993279
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438554
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide
CID 47049367

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide (CID 71939158) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide is O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is HVRVIPMIPMXDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c21-17-9-8-16(23-12-5-13-27(23,25)26)14-18(17)22-19(24)20(10-4-11-20)15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,22,24).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 71939158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).