N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide

C25H27FN4O3S — CID 156652880

IUPACN-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide
SMILESCC(C)(C)NS(=O)c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C25H27FN4O3S/c1-25(2,3)30-34(33)20-12-10-19(11-13-20)28-24(32)22(15-17-7-5-4-6-8-17)29-23(31)21-14-9-18(26)16-27-21/h4-14,16,22,30H,15H2,1-3H3,(H,28,32)(H,29,31)
InChIKeySIFDVTWIQKKMMK-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.61
Rot. Bonds8

About N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide

N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 156652880) has the molecular formula C25H27FN4O3S and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide
PubChem CID156652880
Molecular FormulaC25H27FN4O3S
Molecular Weight482.58 g/mol
Exact Mass482.18
IUPAC NameN-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide
SMILESCC(C)(C)NS(=O)c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C25H27FN4O3S/c1-25(2,3)30-34(33)20-12-10-19(11-13-20)28-24(32)22(15-17-7-5-4-6-8-17)29-23(31)21-14-9-18(26)16-27-21/h4-14,16,22,30H,15H2,1-3H3,(H,28,32)(H,29,31)
InChIKeySIFDVTWIQKKMMK-UHFFFAOYSA-N
XLogP3.61
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide 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
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
CID 146503498
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide
CID 163435267
5-(ethylamino)-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 104641246
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
(2R)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540829
tert-butyl N-[(2R)-1-[[(2S)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10528401
2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104638117
N-[(2S)-1-[4-(tert-butylamino)sulfanylanilino]-1-oxo-3-pyridin-3-ylpropan-2-yl]-4-fluorobenzamide
CID 146544916

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide (CID 156652880) is N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide is CC(C)(C)NS(=O)c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccc(F)cn2)cc1.
What is the InChIKey of N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide?
The InChIKey is SIFDVTWIQKKMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3S/c1-25(2,3)30-34(33)20-12-10-19(11-13-20)28-24(32)22(15-17-7-5-4-6-8-17)29-23(31)21-14-9-18(26)16-27-21/h4-14,16,22,30H,15H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide?
N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 156652880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).