3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H25N3O4S — CID 113143240

IUPAC3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)Nc1cc(C)on1)S(C)(=O)=O
InChIInChI=1S/C18H25N3O4S/c1-5-14-8-7-9-15(6-2)18(14)21(26(4,23)24)11-10-17(22)19-16-12-13(3)25-20-16/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,20,22)
InChIKeyYYXCMOJEAFHQKJ-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.90
Rot. Bonds8

About 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 113143240) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID113143240
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)Nc1cc(C)on1)S(C)(=O)=O
InChIInChI=1S/C18H25N3O4S/c1-5-14-8-7-9-15(6-2)18(14)21(26(4,23)24)11-10-17(22)19-16-12-13(3)25-20-16/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,20,22)
InChIKeyYYXCMOJEAFHQKJ-UHFFFAOYSA-N
XLogP2.90
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142554
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113143288
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230
3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142224
N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145043
N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145297
2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156975
N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147393
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113147417
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142957

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 113143240) is 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCc1cccc(CC)c1N(CCC(=O)Nc1cc(C)on1)S(C)(=O)=O.
What is the InChIKey of 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is YYXCMOJEAFHQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-5-14-8-7-9-15(6-2)18(14)21(26(4,23)24)11-10-17(22)19-16-12-13(3)25-20-16/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,20,22).
What are the key properties of 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 379.48 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 113143240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).