2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide

C24H25ClFN3O5S — CID 170143895

IUPAC2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide
SMILESCCc1cc(-c2ccc(Cl)c(F)c2)cc(C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2
InChIInChI=1S/C24H25ClFN3O5S/c1-4-15-8-17(16-5-6-20(25)21(26)9-16)7-14(2)19(15)10-22(30)28-35(31,32)23-11-24-29(27-23)12-18(33-3)13-34-24/h5-9,11,18H,4,10,12-13H2,1-3H3,(H,28,30)
InChIKeyGGABHLROTRQREA-UHFFFAOYSA-N
MW522.00 g/mol
LogP3.67
Rot. Bonds7

About 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide

2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide (PubChem CID 170143895) has the molecular formula C24H25ClFN3O5S and a molecular weight of 522.00 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide
PubChem CID170143895
Molecular FormulaC24H25ClFN3O5S
Molecular Weight522.00 g/mol
Exact Mass521.12
IUPAC Name2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide
SMILESCCc1cc(-c2ccc(Cl)c(F)c2)cc(C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2
InChIInChI=1S/C24H25ClFN3O5S/c1-4-15-8-17(16-5-6-20(25)21(26)9-16)7-14(2)19(15)10-22(30)28-35(31,32)23-11-24-29(27-23)12-18(33-3)13-34-24/h5-9,11,18H,4,10,12-13H2,1-3H3,(H,28,30)
InChIKeyGGABHLROTRQREA-UHFFFAOYSA-N
XLogP3.67
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.00
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide with MolForge

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Related Compounds

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CID 142561622
CID 142561622
CID 166008147
CID 166008147
CID 166008166
CID 166008166
CID 166008191
CID 166008191
CID 166008232
CID 166008232
CID 166008246
CID 166008246
CID 167541472
CID 167541472
CID 170143896
CID 170143896

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide?
The IUPAC name of 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide (CID 170143895) is 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide.
What is the SMILES notation for 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide?
The canonical SMILES for 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide is CCc1cc(-c2ccc(Cl)c(F)c2)cc(C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2.
What is the InChIKey of 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide?
The InChIKey is GGABHLROTRQREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O5S/c1-4-15-8-17(16-5-6-20(25)21(26)9-16)7-14(2)19(15)10-22(30)28-35(31,32)23-11-24-29(27-23)12-18(33-3)13-34-24/h5-9,11,18H,4,10,12-13H2,1-3H3,(H,28,30).
What are the key properties of 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide?
2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide has a molecular weight of 522.00 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3-fluorophenyl)-2-ethyl-6-methylphenyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide is sourced from PubChem (CID 170143895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).