3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide

C21H24FN3O4S — CID 55359807

IUPAC3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C21H24FN3O4S/c1-2-25(14-20(26)23-13-15-6-8-17(22)9-7-15)21(27)16-4-3-5-19(12-16)30(28,29)24-18-10-11-18/h3-9,12,18,24H,2,10-11,13-14H2,1H3,(H,23,26)
InChIKeyFWYGQJPUSABYGO-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.04
Rot. Bonds9

About 3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide

3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 55359807) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID55359807
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Name3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C21H24FN3O4S/c1-2-25(14-20(26)23-13-15-6-8-17(22)9-7-15)21(27)16-4-3-5-19(12-16)30(28,29)24-18-10-11-18/h3-9,12,18,24H,2,10-11,13-14H2,1H3,(H,23,26)
InChIKeyFWYGQJPUSABYGO-UHFFFAOYSA-N
XLogP2.04
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853544
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119191474
3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163370
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55790239
3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 46647625
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39821970
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55792417
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide (CID 55359807) is 3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is FWYGQJPUSABYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-2-25(14-20(26)23-13-15-6-8-17(22)9-7-15)21(27)16-4-3-5-19(12-16)30(28,29)24-18-10-11-18/h3-9,12,18,24H,2,10-11,13-14H2,1H3,(H,23,26).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 433.51 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55359807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).