3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide

C18H25N3O4S — CID 110356539

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)NCC(C)Cc1ccccc1
InChIInChI=1S/C18H25N3O4S/c1-13(11-16-7-5-4-6-8-16)12-19-17(22)9-10-20-26(23,24)18-14(2)21-25-15(18)3/h4-8,13,20H,9-12H2,1-3H3,(H,19,22)
InChIKeyMEGPACOKIGUVAE-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.95
Rot. Bonds9

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide (PubChem CID 110356539) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide
PubChem CID110356539
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)NCC(C)Cc1ccccc1
InChIInChI=1S/C18H25N3O4S/c1-13(11-16-7-5-4-6-8-16)12-19-17(22)9-10-20-26(23,24)18-14(2)21-25-15(18)3/h4-8,13,20H,9-12H2,1-3H3,(H,19,22)
InChIKeyMEGPACOKIGUVAE-UHFFFAOYSA-N
XLogP1.95
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 9032989
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9042128
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(imidazo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 110416152
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 25404246
3,5-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 40710414
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9181600
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9259359
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methyl-3-phenylpropyl)acetamide
CID 110608611
3,5-dimethyl-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 110347343
N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9042417
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide (CID 110356539) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide is Cc1noc(C)c1S(=O)(=O)NCCC(=O)NCC(C)Cc1ccccc1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide?
The InChIKey is MEGPACOKIGUVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-13(11-16-7-5-4-6-8-16)12-19-17(22)9-10-20-26(23,24)18-14(2)21-25-15(18)3/h4-8,13,20H,9-12H2,1-3H3,(H,19,22).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide has a molecular weight of 379.48 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide is sourced from PubChem (CID 110356539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).