N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide

C30H24FN3O3S — CID 163347610

IUPACN-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
SMILESCc1cccc(C)c1OCC(=O)Nc1nc(-c2ccc(F)cc2)c(NC(=O)c2cccc3ccccc23)s1
InChIInChI=1S/C30H24FN3O3S/c1-18-7-5-8-19(2)27(18)37-17-25(35)32-30-33-26(21-13-15-22(31)16-14-21)29(38-30)34-28(36)24-12-6-10-20-9-3-4-11-23(20)24/h3-16H,17H2,1-2H3,(H,34,36)(H,32,33,35)
InChIKeyBGJBOFXXKCRXHX-UHFFFAOYSA-N
MW525.61 g/mol
LogP6.99
Rot. Bonds7

About N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide

N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide (PubChem CID 163347610) has the molecular formula C30H24FN3O3S and a molecular weight of 525.61 g/mol. Its IUPAC name is N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
PubChem CID163347610
Molecular FormulaC30H24FN3O3S
Molecular Weight525.61 g/mol
Exact Mass525.15
IUPAC NameN-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
SMILESCc1cccc(C)c1OCC(=O)Nc1nc(-c2ccc(F)cc2)c(NC(=O)c2cccc3ccccc23)s1
InChIInChI=1S/C30H24FN3O3S/c1-18-7-5-8-19(2)27(18)37-17-25(35)32-30-33-26(21-13-15-22(31)16-14-21)29(38-30)34-28(36)24-12-6-10-20-9-3-4-11-23(20)24/h3-16H,17H2,1-2H3,(H,34,36)(H,32,33,35)
InChIKeyBGJBOFXXKCRXHX-UHFFFAOYSA-N
XLogP6.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide with MolForge

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Related Compounds

N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 46299924
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 46299919
2-(2-ethoxyphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9094333
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
CID 163347422
N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868500
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868480
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 1347127
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]naphthalene-1-carboxamide
CID 163347337

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide (CID 163347610) is N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide is Cc1cccc(C)c1OCC(=O)Nc1nc(-c2ccc(F)cc2)c(NC(=O)c2cccc3ccccc23)s1.
What is the InChIKey of N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide?
The InChIKey is BGJBOFXXKCRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN3O3S/c1-18-7-5-8-19(2)27(18)37-17-25(35)32-30-33-26(21-13-15-22(31)16-14-21)29(38-30)34-28(36)24-12-6-10-20-9-3-4-11-23(20)24/h3-16H,17H2,1-2H3,(H,34,36)(H,32,33,35).
What are the key properties of N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide?
N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide has a molecular weight of 525.61 g/mol, XLogP of 6.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 163347610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).