N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide

C20H28N2O4S — CID 59704004

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCc2ccccc2)no1
InChIInChI=1S/C20H28N2O4S/c1-19(2,3)16-14-17(22-26-16)21-18(23)20(4,5)27(24,25)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14H,9,12-13H2,1-5H3,(H,21,22,23)
InChIKeyDPMIWYDTWLYGRD-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.74
Rot. Bonds7

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide (PubChem CID 59704004) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide
PubChem CID59704004
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCc2ccccc2)no1
InChIInChI=1S/C20H28N2O4S/c1-19(2,3)16-14-17(22-26-16)21-18(23)20(4,5)27(24,25)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14H,9,12-13H2,1-5H3,(H,21,22,23)
InChIKeyDPMIWYDTWLYGRD-UHFFFAOYSA-N
XLogP3.74
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(3-phenylpropylsulfonyl)butan-2-one
CID 58287644
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea
CID 108812470
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide
CID 58198607
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
CID 59703925
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide
CID 67337779
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108812450
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 73051566
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461
4-[[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108812303
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 59420631
2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 59267923
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-tert-butylsulfonyl-2-methylpropanamide;2-tert-butylsulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 160651237

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide (CID 59704004) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCc2ccccc2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide?
The InChIKey is DPMIWYDTWLYGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-19(2,3)16-14-17(22-26-16)21-18(23)20(4,5)27(24,25)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14H,9,12-13H2,1-5H3,(H,21,22,23).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide has a molecular weight of 392.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide is sourced from PubChem (CID 59704004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).