2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide

C18H25N3O4S — CID 3475612

IUPAC2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccon2)CC(C)C)c(C)c1
InChIInChI=1S/C18H25N3O4S/c1-12(2)10-21(11-17(22)19-16-6-7-25-20-16)26(23,24)18-14(4)8-13(3)9-15(18)5/h6-9,12H,10-11H2,1-5H3,(H,19,20,22)
InChIKeyHDGHYLFQTYWMEE-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.89
Rot. Bonds7

About 2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide

2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 3475612) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID3475612
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccon2)CC(C)C)c(C)c1
InChIInChI=1S/C18H25N3O4S/c1-12(2)10-21(11-17(22)19-16-6-7-25-20-16)26(23,24)18-14(4)8-13(3)9-15(18)5/h6-9,12H,10-11H2,1-5H3,(H,19,20,22)
InChIKeyHDGHYLFQTYWMEE-UHFFFAOYSA-N
XLogP2.89
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-oxazol-3-yl)-2-[propyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 3369625
2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771763
4-methyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42769081
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
N-(3-methylbutyl)-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371796
2-[butylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42664185
2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 5071176
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 7237376
2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42770970
4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 813708
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 4113243

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide (CID 3475612) is 2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccon2)CC(C)C)c(C)c1.
What is the InChIKey of 2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is HDGHYLFQTYWMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-12(2)10-21(11-17(22)19-16-6-7-25-20-16)26(23,24)18-14(4)8-13(3)9-15(18)5/h6-9,12H,10-11H2,1-5H3,(H,19,20,22).
What are the key properties of 2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide?
2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 379.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3475612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).