N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

C20H16F3N3O4S — CID 55706929

IUPACN-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1OC(F)F
InChIInChI=1S/C20H16F3N3O4S/c1-29-15-7-6-11(8-16(15)30-19(22)23)24-17(27)9-12-10-31-20(25-12)26-18(28)13-4-2-3-5-14(13)21/h2-8,10,19H,9H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyMSKBYGZKOAGHBI-UHFFFAOYSA-N
MW451.43 g/mol
LogP4.33
Rot. Bonds8

About N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 55706929) has the molecular formula C20H16F3N3O4S and a molecular weight of 451.43 g/mol. Its IUPAC name is N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID55706929
Molecular FormulaC20H16F3N3O4S
Molecular Weight451.43 g/mol
Exact Mass451.08
IUPAC NameN-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1OC(F)F
InChIInChI=1S/C20H16F3N3O4S/c1-29-15-7-6-11(8-16(15)30-19(22)23)24-17(27)9-12-10-31-20(25-12)26-18(28)13-4-2-3-5-14(13)21/h2-8,10,19H,9H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyMSKBYGZKOAGHBI-UHFFFAOYSA-N
XLogP4.33
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(3-benzyl-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55719652
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55704203
2-fluoro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 55704463
N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488414
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18567592
N-[4-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55796754
2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55719953
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619
3,4-dimethoxy-N-[4-[2-(3-methylsulfanylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230290
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568020
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229313

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 55706929) is N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1OC(F)F.
What is the InChIKey of N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is MSKBYGZKOAGHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4S/c1-29-15-7-6-11(8-16(15)30-19(22)23)24-17(27)9-12-10-31-20(25-12)26-18(28)13-4-2-3-5-14(13)21/h2-8,10,19H,9H2,1H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 451.43 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 55706929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).