N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide

C27H30FN3O5S — CID 146503462

IUPACN-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCOc1ccc(CC(NC(=O)c2ccc(F)cc2)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C27H30FN3O5S/c1-27(2,3)31-37(34,35)23-15-11-21(12-16-23)29-26(33)24(17-18-5-13-22(36-4)14-6-18)30-25(32)19-7-9-20(28)10-8-19/h5-16,24,31H,17H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyHKVAYSDDYQOCEX-UHFFFAOYSA-N
MW527.62 g/mol
LogP3.89
Rot. Bonds9

About N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide

N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide (PubChem CID 146503462) has the molecular formula C27H30FN3O5S and a molecular weight of 527.62 g/mol. Its IUPAC name is N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide
PubChem CID146503462
Molecular FormulaC27H30FN3O5S
Molecular Weight527.62 g/mol
Exact Mass527.19
IUPAC NameN-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCOc1ccc(CC(NC(=O)c2ccc(F)cc2)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C27H30FN3O5S/c1-27(2,3)31-37(34,35)23-15-11-21(12-16-23)29-26(33)24(17-18-5-13-22(36-4)14-6-18)30-25(32)19-7-9-20(28)10-8-19/h5-16,24,31H,17H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyHKVAYSDDYQOCEX-UHFFFAOYSA-N
XLogP3.89
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide 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

N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 142474792
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 146544712
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-piperidin-4-ylpropan-2-yl]-4-fluorobenzamide
CID 174206735
4-fluoro-N-[(2S)-4-methyl-1-oxo-1-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]anilino]pentan-2-yl]benzamide
CID 165122300
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide
CID 146147261
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
CID 146503498
4-fluoro-N-[(2S)-1-[4-[(4-methoxy-2-methylbutan-2-yl)sulfamoyl]anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]benzamide
CID 176733540
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide
CID 176733551
4-fluoro-N-[(2S)-1-[4-[(4-hydroxy-2-methylbutan-2-yl)sulfamoyl]anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]benzamide
CID 165122442

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide (CID 146503462) is N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide is COc1ccc(CC(NC(=O)c2ccc(F)cc2)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide?
The InChIKey is HKVAYSDDYQOCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O5S/c1-27(2,3)31-37(34,35)23-15-11-21(12-16-23)29-26(33)24(17-18-5-13-22(36-4)14-6-18)30-25(32)19-7-9-20(28)10-8-19/h5-16,24,31H,17H2,1-4H3,(H,29,33)(H,30,32).
What are the key properties of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide?
N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide has a molecular weight of 527.62 g/mol, XLogP of 3.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 146503462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).