N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide

C22H20ClF3N2O3S — CID 10743496

IUPACN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
SMILESCCOCN(C(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1snc(C)c1Cl
InChIInChI=1S/C22H20ClF3N2O3S/c1-3-30-13-28(21-20(23)14(2)27-32-21)19(29)12-15-4-8-17(9-5-15)31-18-10-6-16(7-11-18)22(24,25)26/h4-11H,3,12-13H2,1-2H3
InChIKeyATGZANILPZJQFE-UHFFFAOYSA-N
MW484.93 g/mol
LogP6.49
Rot. Bonds8

About N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide

N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide (PubChem CID 10743496) has the molecular formula C22H20ClF3N2O3S and a molecular weight of 484.93 g/mol. Its IUPAC name is N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
PubChem CID10743496
Molecular FormulaC22H20ClF3N2O3S
Molecular Weight484.93 g/mol
Exact Mass484.08
IUPAC NameN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
SMILESCCOCN(C(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1snc(C)c1Cl
InChIInChI=1S/C22H20ClF3N2O3S/c1-3-30-13-28(21-20(23)14(2)27-32-21)19(29)12-15-4-8-17(9-5-15)31-18-10-6-16(7-11-18)22(24,25)26/h4-11H,3,12-13H2,1-2H3
InChIKeyATGZANILPZJQFE-UHFFFAOYSA-N
XLogP6.49
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.93
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 10504572
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
4-chloro-3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008416
N-(4-chloro-3-ethyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]acetamide
CID 10137881
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264342
ethyl 3-amino-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoate
CID 13477880
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55596990
propan-2-yl N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]carbamate
CID 15405404

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide?
The IUPAC name of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide (CID 10743496) is N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide.
What is the SMILES notation for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide?
The canonical SMILES for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide is CCOCN(C(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1snc(C)c1Cl.
What is the InChIKey of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide?
The InChIKey is ATGZANILPZJQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O3S/c1-3-30-13-28(21-20(23)14(2)27-32-21)19(29)12-15-4-8-17(9-5-15)31-18-10-6-16(7-11-18)22(24,25)26/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide?
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide has a molecular weight of 484.93 g/mol, XLogP of 6.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide is sourced from PubChem (CID 10743496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).