N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide

C21H30N4O2S — CID 169103567

IUPACN-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1cc(NC(=O)C(C)(C)C)nnc1-c1ccccc1
InChIInChI=1S/C21H30N4O2S/c1-14(25-28(27)21(5,6)7)16-13-17(22-19(26)20(2,3)4)23-24-18(16)15-11-9-8-10-12-15/h8-14,25H,1-7H3,(H,22,23,26)/t14-,28+/m1/s1
InChIKeyOYDVUMNSMHQSPH-SUMNFNSASA-N
MW402.56 g/mol
LogP4.24
Rot. Bonds5

About N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide

N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 169103567) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID169103567
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC NameN-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1cc(NC(=O)C(C)(C)C)nnc1-c1ccccc1
InChIInChI=1S/C21H30N4O2S/c1-14(25-28(27)21(5,6)7)16-13-17(22-19(26)20(2,3)4)23-24-18(16)15-11-9-8-10-12-15/h8-14,25H,1-7H3,(H,22,23,26)/t14-,28+/m1/s1
InChIKeyOYDVUMNSMHQSPH-SUMNFNSASA-N
XLogP4.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

(R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 130387150
(R)-N-[(1R)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 130387121
(R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide
CID 130387083
N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 154591603
(R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide
CID 170789384
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113044456
2,2-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]propanamide
CID 113044508
2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide
CID 102140135
N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 154642659
N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide
CID 101126712
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
(R)-N-[1-(2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536184

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide (CID 169103567) is N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide is C[C@@H](N[S@@](=O)C(C)(C)C)c1cc(NC(=O)C(C)(C)C)nnc1-c1ccccc1.
What is the InChIKey of N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is OYDVUMNSMHQSPH-SUMNFNSASA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-14(25-28(27)21(5,6)7)16-13-17(22-19(26)20(2,3)4)23-24-18(16)15-11-9-8-10-12-15/h8-14,25H,1-7H3,(H,22,23,26)/t14-,28+/m1/s1.
What are the key properties of N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide?
N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 402.56 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 169103567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).