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

C20H23N3O5S — CID 5307916

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)cc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C20H23N3O5S/c1-13-8-14(2)10-17(9-13)23(12-19(24)21-11-18-6-5-7-27-18)29(25,26)20-15(3)22-28-16(20)4/h5-10H,11-12H2,1-4H3,(H,21,24)
InChIKeyKKSTZEAFTIAQIT-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.01
Rot. Bonds7

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 5307916) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide
PubChem CID5307916
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)cc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C20H23N3O5S/c1-13-8-14(2)10-17(9-13)23(12-19(24)21-11-18-6-5-7-27-18)29(25,26)20-15(3)22-28-16(20)4/h5-10H,11-12H2,1-4H3,(H,21,24)
InChIKeyKKSTZEAFTIAQIT-UHFFFAOYSA-N
XLogP3.01
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide (CID 5307916) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide is Cc1cc(C)cc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KKSTZEAFTIAQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13-8-14(2)10-17(9-13)23(12-19(24)21-11-18-6-5-7-27-18)29(25,26)20-15(3)22-28-16(20)4/h5-10H,11-12H2,1-4H3,(H,21,24).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 417.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 5307916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).