N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C22H22F2N2O4S — CID 24665287

IUPACN-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1cc(CN(C(=O)Cc2csc(-c3ccco3)n2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C22H22F2N2O4S/c1-2-28-19-10-14(5-8-17(19)30-22(23)24)12-26(16-6-7-16)20(27)11-15-13-31-21(25-15)18-4-3-9-29-18/h3-5,8-10,13,16,22H,2,6-7,11-12H2,1H3
InChIKeyXOWWMHNIEXAMHJ-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.14
Rot. Bonds10

About N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 24665287) has the molecular formula C22H22F2N2O4S and a molecular weight of 448.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID24665287
Molecular FormulaC22H22F2N2O4S
Molecular Weight448.49 g/mol
Exact Mass448.13
IUPAC NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1cc(CN(C(=O)Cc2csc(-c3ccco3)n2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C22H22F2N2O4S/c1-2-28-19-10-14(5-8-17(19)30-22(23)24)12-26(16-6-7-16)20(27)11-15-13-31-21(25-15)18-4-3-9-29-18/h3-5,8-10,13,16,22H,2,6-7,11-12H2,1H3
InChIKeyXOWWMHNIEXAMHJ-UHFFFAOYSA-N
XLogP5.14
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 24665287) is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is CCOc1cc(CN(C(=O)Cc2csc(-c3ccco3)n2)C2CC2)ccc1OC(F)F.
What is the InChIKey of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is XOWWMHNIEXAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O4S/c1-2-28-19-10-14(5-8-17(19)30-22(23)24)12-26(16-6-7-16)20(27)11-15-13-31-21(25-15)18-4-3-9-29-18/h3-5,8-10,13,16,22H,2,6-7,11-12H2,1H3.
What are the key properties of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 448.49 g/mol, XLogP of 5.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24665287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).