N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide

C24H27N5O4S — CID 146503498

IUPACN-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnn2)cc1
InChIInChI=1S/C24H27N5O4S/c1-24(2,3)29-34(32,33)19-13-11-18(12-14-19)26-23(31)21(16-17-8-5-4-6-9-17)27-22(30)20-10-7-15-25-28-20/h4-15,21,29H,16H2,1-3H3,(H,26,31)(H,27,30)/t21-/m0/s1
InChIKeyLDNFXUMUXHIAOK-NRFANRHFSA-N
MW481.58 g/mol
LogP2.53
Rot. Bonds8

About N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide

N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide (PubChem CID 146503498) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
PubChem CID146503498
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnn2)cc1
InChIInChI=1S/C24H27N5O4S/c1-24(2,3)29-34(32,33)19-13-11-18(12-14-19)26-23(31)21(16-17-8-5-4-6-9-17)27-22(30)20-10-7-15-25-28-20/h4-15,21,29H,16H2,1-3H3,(H,26,31)(H,27,30)/t21-/m0/s1
InChIKeyLDNFXUMUXHIAOK-NRFANRHFSA-N
XLogP2.53
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-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
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide
CID 146147261
2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638122
N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 146503462
N-[4-(tert-butylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 1295481
N-[1-(4-tert-butylsulfinamoylanilino)-1-oxo-3-phenylpropan-2-yl]-5-fluoropyridine-2-carboxamide
CID 156652880
N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 146503437
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782075
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide (CID 146503498) is N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnn2)cc1.
What is the InChIKey of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide?
The InChIKey is LDNFXUMUXHIAOK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-24(2,3)29-34(32,33)19-13-11-18(12-14-19)26-23(31)21(16-17-8-5-4-6-9-17)27-22(30)20-10-7-15-25-28-20/h4-15,21,29H,16H2,1-3H3,(H,26,31)(H,27,30)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide?
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 146503498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).