N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide

C17H20Cl2N2O4S — CID 59662620

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C17H20Cl2N2O4S/c1-16(2,3)13-9-14(21-25-13)20-15(22)17(4,5)26(23,24)10-6-7-11(18)12(19)8-10/h6-9H,1-5H3,(H,20,21,22)
InChIKeyCBAVLZZRJZXUFR-UHFFFAOYSA-N
MW419.33 g/mol
LogP4.47
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 59662620) has the molecular formula C17H20Cl2N2O4S and a molecular weight of 419.33 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
PubChem CID59662620
Molecular FormulaC17H20Cl2N2O4S
Molecular Weight419.33 g/mol
Exact Mass418.05
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C17H20Cl2N2O4S/c1-16(2,3)13-9-14(21-25-13)20-15(22)17(4,5)26(23,24)10-6-7-11(18)12(19)8-10/h6-9H,1-5H3,(H,20,21,22)
InChIKeyCBAVLZZRJZXUFR-UHFFFAOYSA-N
XLogP4.47
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 59662655
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide
CID 59662692
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-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159032670
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide
CID 25004378
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 161100841
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide
CID 67337779
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol
CID 143852097
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 173117774

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide (CID 59662620) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is CBAVLZZRJZXUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O4S/c1-16(2,3)13-9-14(21-25-13)20-15(22)17(4,5)26(23,24)10-6-7-11(18)12(19)8-10/h6-9H,1-5H3,(H,20,21,22).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 419.33 g/mol, XLogP of 4.47, 4 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-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 59662620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).