N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H20N4O3S — CID 113032084

IUPACN-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(C)c(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)nc2)c1
InChIInChI=1S/C18H20N4O3S/c1-11-5-6-12(2)16(9-11)20-15-7-8-17(19-10-15)22-26(23,24)18-13(3)21-25-14(18)4/h5-10,20H,1-4H3,(H,19,22)
InChIKeyZNYGRFXNVOYBGD-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.85
Rot. Bonds5

About N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113032084) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113032084
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(C)c(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)nc2)c1
InChIInChI=1S/C18H20N4O3S/c1-11-5-6-12(2)16(9-11)20-15-7-8-17(19-10-15)22-26(23,24)18-13(3)21-25-14(18)4/h5-10,20H,1-4H3,(H,19,22)
InChIKeyZNYGRFXNVOYBGD-UHFFFAOYSA-N
XLogP3.85
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113032078
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[5-(3-cyanoanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113037237
N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063
N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369
3,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113009202
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113023189
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113011636
N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113022734
N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113032084) is N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1ccc(C)c(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)nc2)c1.
What is the InChIKey of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ZNYGRFXNVOYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11-5-6-12(2)16(9-11)20-15-7-8-17(19-10-15)22-26(23,24)18-13(3)21-25-14(18)4/h5-10,20H,1-4H3,(H,19,22).
What are the key properties of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113032084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).