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

C18H20F2N2O4S — CID 18169198

IUPACN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOc1cc(CN(C(=O)Cn2c(C)csc2=O)C2CC2)ccc1OC(F)F
InChIInChI=1S/C18H20F2N2O4S/c1-11-10-27-18(24)21(11)9-16(23)22(13-4-5-13)8-12-3-6-14(26-17(19)20)15(7-12)25-2/h3,6-7,10,13,17H,4-5,8-9H2,1-2H3
InChIKeyONMCNMXVUMSAOJ-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.02
Rot. Bonds8

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

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 18169198) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID18169198
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOc1cc(CN(C(=O)Cn2c(C)csc2=O)C2CC2)ccc1OC(F)F
InChIInChI=1S/C18H20F2N2O4S/c1-11-10-27-18(24)21(11)9-16(23)22(13-4-5-13)8-12-3-6-14(26-17(19)20)15(7-12)25-2/h3,6-7,10,13,17H,4-5,8-9H2,1-2H3
InChIKeyONMCNMXVUMSAOJ-UHFFFAOYSA-N
XLogP3.02
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18097985
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17426445
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18115832
N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18169203
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
methyl 5-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18151203
methyl 1-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]acetyl]piperidine-4-carboxylate
CID 17481178
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
CID 16606789
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate
CID 26540361
2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide
CID 26379534
1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride
CID 120847888

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 18169198) is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is COc1cc(CN(C(=O)Cn2c(C)csc2=O)C2CC2)ccc1OC(F)F.
What is the InChIKey of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is ONMCNMXVUMSAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-11-10-27-18(24)21(11)9-16(23)22(13-4-5-13)8-12-3-6-14(26-17(19)20)15(7-12)25-2/h3,6-7,10,13,17H,4-5,8-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 398.43 g/mol, XLogP of 3.02, 8 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-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 18169198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).