N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide

C21H21F2N3O5S — CID 5308954

IUPACN-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H21F2N3O5S/c1-4-30-17-8-6-16(7-9-17)26(32(28,29)21-13(2)25-31-14(21)3)12-20(27)24-15-5-10-18(22)19(23)11-15/h5-11H,4,12H2,1-3H3,(H,24,27)
InChIKeyXBKVDFVQUCOXRE-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.80
Rot. Bonds8

About N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide

N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide (PubChem CID 5308954) has the molecular formula C21H21F2N3O5S and a molecular weight of 465.48 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
PubChem CID5308954
Molecular FormulaC21H21F2N3O5S
Molecular Weight465.48 g/mol
Exact Mass465.12
IUPAC NameN-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H21F2N3O5S/c1-4-30-17-8-6-16(7-9-17)26(32(28,29)21-13(2)25-31-14(21)3)12-20(27)24-15-5-10-18(22)19(23)11-15/h5-11H,4,12H2,1-3H3,(H,24,27)
InChIKeyXBKVDFVQUCOXRE-UHFFFAOYSA-N
XLogP3.80
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide (CID 5308954) is N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The InChIKey is XBKVDFVQUCOXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O5S/c1-4-30-17-8-6-16(7-9-17)26(32(28,29)21-13(2)25-31-14(21)3)12-20(27)24-15-5-10-18(22)19(23)11-15/h5-11H,4,12H2,1-3H3,(H,24,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide has a molecular weight of 465.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide is sourced from PubChem (CID 5308954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).