5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide

C21H26FN3O5S — CID 46555537

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C21H26FN3O5S/c1-5-25(6-2)31(28,29)15-8-9-17(22)16(12-15)21(27)23-13-20(26)24-18-11-14(3)7-10-19(18)30-4/h7-12H,5-6,13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyDDYPAGMMUFFGPQ-UHFFFAOYSA-N
MW451.52 g/mol
LogP2.54
Rot. Bonds9

About 5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide

5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide (PubChem CID 46555537) has the molecular formula C21H26FN3O5S and a molecular weight of 451.52 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
PubChem CID46555537
Molecular FormulaC21H26FN3O5S
Molecular Weight451.52 g/mol
Exact Mass451.16
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C21H26FN3O5S/c1-5-25(6-2)31(28,29)15-8-9-17(22)16(12-15)21(27)23-13-20(26)24-18-11-14(3)7-10-19(18)30-4/h7-12H,5-6,13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyDDYPAGMMUFFGPQ-UHFFFAOYSA-N
XLogP2.54
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550828
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372136
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide (CID 46555537) is 5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)Nc2cc(C)ccc2OC)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is DDYPAGMMUFFGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O5S/c1-5-25(6-2)31(28,29)15-8-9-17(22)16(12-15)21(27)23-13-20(26)24-18-11-14(3)7-10-19(18)30-4/h7-12H,5-6,13H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 451.52 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 46555537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).