N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide

C23H23FN2O4S — CID 46114899

IUPACN-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)cc1OCc1nc(CO)cs1
InChIInChI=1S/C23H23FN2O4S/c1-29-20-8-5-15(9-21(20)30-13-22-25-18(12-27)14-31-22)11-26(19-6-7-19)23(28)16-3-2-4-17(24)10-16/h2-5,8-10,14,19,27H,6-7,11-13H2,1H3
InChIKeyHPOBHUBPONZAST-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.17
Rot. Bonds9

About N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide

N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide (PubChem CID 46114899) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide
PubChem CID46114899
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC NameN-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)cc1OCc1nc(CO)cs1
InChIInChI=1S/C23H23FN2O4S/c1-29-20-8-5-15(9-21(20)30-13-22-25-18(12-27)14-31-22)11-26(19-6-7-19)23(28)16-3-2-4-17(24)10-16/h2-5,8-10,14,19,27H,6-7,11-13H2,1H3
InChIKeyHPOBHUBPONZAST-UHFFFAOYSA-N
XLogP4.17
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide (CID 46114899) is N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide is COc1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)cc1OCc1nc(CO)cs1.
What is the InChIKey of N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide?
The InChIKey is HPOBHUBPONZAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-29-20-8-5-15(9-21(20)30-13-22-25-18(12-27)14-31-22)11-26(19-6-7-19)23(28)16-3-2-4-17(24)10-16/h2-5,8-10,14,19,27H,6-7,11-13H2,1H3.
What are the key properties of N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide?
N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide has a molecular weight of 442.51 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]benzamide is sourced from PubChem (CID 46114899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).