N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C18H20N2O4S — CID 30713117

IUPACN-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C18H20N2O4S/c1-18(2,3)12-5-7-13(8-6-12)19-25(22,23)14-9-10-15-16(11-14)24-17(21)20(15)4/h5-11,19H,1-4H3
InChIKeyNHHUXRNTHMXYFE-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.23
Rot. Bonds3

About N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 30713117) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID30713117
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C18H20N2O4S/c1-18(2,3)12-5-7-13(8-6-12)19-25(22,23)14-9-10-15-16(11-14)24-17(21)20(15)4/h5-11,19H,1-4H3
InChIKeyNHHUXRNTHMXYFE-UHFFFAOYSA-N
XLogP3.23
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110728965
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
3-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110756901
N-(1H-indol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110730877
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713260
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
N-(3-ethynylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31397830
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46966763
N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 99831804

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 30713117) is N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)ccc21.
What is the InChIKey of N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is NHHUXRNTHMXYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-18(2,3)12-5-7-13(8-6-12)19-25(22,23)14-9-10-15-16(11-14)24-17(21)20(15)4/h5-11,19H,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 30713117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).