2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide

C18H21FN2O4S — CID 100796896

IUPAC2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-4-21(26(23,24)17-10-8-14(19)9-11-17)13-18(22)20(2)15-6-5-7-16(12-15)25-3/h5-12H,4,13H2,1-3H3
InChIKeyFXMXPVGYFQHABC-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.51
Rot. Bonds7

About 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide

2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 100796896) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
PubChem CID100796896
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-4-21(26(23,24)17-10-8-14(19)9-11-17)13-18(22)20(2)15-6-5-7-16(12-15)25-3/h5-12H,4,13H2,1-3H3
InChIKeyFXMXPVGYFQHABC-UHFFFAOYSA-N
XLogP2.51
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100798512
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100791045
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100781281
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100792892
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795870
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794413
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100798501
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide
CID 30232749
N-(3-methoxyphenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787905
N-[4-(diethylsulfamoyl)phenyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126259402

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide (CID 100796896) is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide is CCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is FXMXPVGYFQHABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-4-21(26(23,24)17-10-8-14(19)9-11-17)13-18(22)20(2)15-6-5-7-16(12-15)25-3/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 380.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100796896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).