4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide

C24H28FN5O4S — CID 165121963

IUPAC4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccnn2C)cc1
InChIInChI=1S/C24H28FN5O4S/c1-16(2)14-22(29-23(31)17-4-6-18(25)7-5-17)24(32)28-19-8-10-21(11-9-19)35(33,34)27-15-20-12-13-26-30(20)3/h4-13,16,22,27H,14-15H2,1-3H3,(H,28,32)(H,29,31)/t22-/m0/s1
InChIKeyJQWXQWGEVBTUIX-QFIPXVFZSA-N
MW501.58 g/mol
LogP2.82
Rot. Bonds10

About 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide

4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide (PubChem CID 165121963) has the molecular formula C24H28FN5O4S and a molecular weight of 501.58 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide
PubChem CID165121963
Molecular FormulaC24H28FN5O4S
Molecular Weight501.58 g/mol
Exact Mass501.18
IUPAC Name4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccnn2C)cc1
InChIInChI=1S/C24H28FN5O4S/c1-16(2)14-22(29-23(31)17-4-6-18(25)7-5-17)24(32)28-19-8-10-21(11-9-19)35(33,34)27-15-20-12-13-26-30(20)3/h4-13,16,22,27H,14-15H2,1-3H3,(H,28,32)(H,29,31)/t22-/m0/s1
InChIKeyJQWXQWGEVBTUIX-QFIPXVFZSA-N
XLogP2.82
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ab-chfupyca
CID 122213879
N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
CID 138756830
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
N'-(benzenesulfonyl)-2-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298537
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298542
N'-(2-fluorophenyl)sulfonyl-3-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298585
N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298598
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(5-methylpyrazol-1-yl)benzohydrazide
CID 135298607

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide (CID 165121963) is 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide is CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccnn2C)cc1.
What is the InChIKey of 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide?
The InChIKey is JQWXQWGEVBTUIX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28FN5O4S/c1-16(2)14-22(29-23(31)17-4-6-18(25)7-5-17)24(32)28-19-8-10-21(11-9-19)35(33,34)27-15-20-12-13-26-30(20)3/h4-13,16,22,27H,14-15H2,1-3H3,(H,28,32)(H,29,31)/t22-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide?
4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide has a molecular weight of 501.58 g/mol, XLogP of 2.82, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 165121963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).