N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide

C23H21FN2O4S — CID 30697494

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN2O4S/c24-19-7-5-17(6-8-19)16-30-22-4-1-3-18(15-22)23(27)25-20-9-11-21(12-10-20)26-13-2-14-31(26,28)29/h1,3-12,15H,2,13-14,16H2,(H,25,27)
InChIKeyTXSSQUFDFLQXRD-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.20
Rot. Bonds6

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 30697494) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
PubChem CID30697494
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN2O4S/c24-19-7-5-17(6-8-19)16-30-22-4-1-3-18(15-22)23(27)25-20-9-11-21(12-10-20)26-13-2-14-31(26,28)29/h1,3-12,15H,2,13-14,16H2,(H,25,27)
InChIKeyTXSSQUFDFLQXRD-UHFFFAOYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide
CID 112824130
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 46553769
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 3296520
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide (CID 30697494) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is TXSSQUFDFLQXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c24-19-7-5-17(6-8-19)16-30-22-4-1-3-18(15-22)23(27)25-20-9-11-21(12-10-20)26-13-2-14-31(26,28)29/h1,3-12,15H,2,13-14,16H2,(H,25,27).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 440.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 30697494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).