N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide

C20H19ClFN3O5S — CID 3241260

IUPACN-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H19ClFN3O5S/c1-12-20(13(2)30-24-12)31(27,28)25(15-5-7-16(29-3)8-6-15)11-19(26)23-14-4-9-18(22)17(21)10-14/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyXJYHSFUVRQJKOT-UHFFFAOYSA-N
MW467.91 g/mol
LogP3.93
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (PubChem CID 3241260) has the molecular formula C20H19ClFN3O5S and a molecular weight of 467.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
PubChem CID3241260
Molecular FormulaC20H19ClFN3O5S
Molecular Weight467.91 g/mol
Exact Mass467.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H19ClFN3O5S/c1-12-20(13(2)30-24-12)31(27,28)25(15-5-7-16(29-3)8-6-15)11-19(26)23-14-4-9-18(22)17(21)10-14/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyXJYHSFUVRQJKOT-UHFFFAOYSA-N
XLogP3.93
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (CID 3241260) is N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The InChIKey is XJYHSFUVRQJKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O5S/c1-12-20(13(2)30-24-12)31(27,28)25(15-5-7-16(29-3)8-6-15)11-19(26)23-14-4-9-18(22)17(21)10-14/h4-10H,11H2,1-3H3,(H,23,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide has a molecular weight of 467.91 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is sourced from PubChem (CID 3241260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).