2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide

C19H25N3O6S — CID 3236935

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H25N3O6S/c1-13-19(14(2)28-21-13)29(24,25)22(15-6-8-16(26-3)9-7-15)12-18(23)20-11-17-5-4-10-27-17/h6-9,17H,4-5,10-12H2,1-3H3,(H,20,23)
InChIKeyNIFAFISGVIPIHU-UHFFFAOYSA-N
MW423.49 g/mol
LogP1.79
Rot. Bonds8

About 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3236935) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3236935
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H25N3O6S/c1-13-19(14(2)28-21-13)29(24,25)22(15-6-8-16(26-3)9-7-15)12-18(23)20-11-17-5-4-10-27-17/h6-9,17H,4-5,10-12H2,1-3H3,(H,20,23)
InChIKeyNIFAFISGVIPIHU-UHFFFAOYSA-N
XLogP1.79
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide (CID 3236935) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is NIFAFISGVIPIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-13-19(14(2)28-21-13)29(24,25)22(15-6-8-16(26-3)9-7-15)12-18(23)20-11-17-5-4-10-27-17/h6-9,17H,4-5,10-12H2,1-3H3,(H,20,23).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 423.49 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3236935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).