N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide

C18H23N3O3S — CID 17467528

IUPACN-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(C)C(=O)Nc2ccncc2)c1C
InChIInChI=1S/C18H23N3O3S/c1-11-10-12(2)14(4)17(13(11)3)25(23,24)21-15(5)18(22)20-16-6-8-19-9-7-16/h6-10,15,21H,1-5H3,(H,19,20,22)
InChIKeyDLIXKCMYANHRET-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.62
Rot. Bonds5

About N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide

N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide (PubChem CID 17467528) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
PubChem CID17467528
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(C)C(=O)Nc2ccncc2)c1C
InChIInChI=1S/C18H23N3O3S/c1-11-10-12(2)14(4)17(13(11)3)25(23,24)21-15(5)18(22)20-16-6-8-19-9-7-16/h6-10,15,21H,1-5H3,(H,19,20,22)
InChIKeyDLIXKCMYANHRET-UHFFFAOYSA-N
XLogP2.62
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzoate
CID 9068798
N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide
CID 24610123
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890225
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 42943353
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 24537159
N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 9277010

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide (CID 17467528) is N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(C)c(S(=O)(=O)NC(C)C(=O)Nc2ccncc2)c1C.
What is the InChIKey of N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The InChIKey is DLIXKCMYANHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-11-10-12(2)14(4)17(13(11)3)25(23,24)21-15(5)18(22)20-16-6-8-19-9-7-16/h6-10,15,21H,1-5H3,(H,19,20,22).
What are the key properties of N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17467528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).