2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide

C17H18N2O4S — CID 110760591

IUPAC2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)ccc2o1
InChIInChI=1S/C17H18N2O4S/c1-11(2)22-14-6-4-13(5-7-14)19-24(20,21)15-8-9-17-16(10-15)18-12(3)23-17/h4-11,19H,1-3H3
InChIKeyCDUMGBWWJYYKGU-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.72
Rot. Bonds5

About 2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide

2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760591) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
PubChem CID110760591
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)ccc2o1
InChIInChI=1S/C17H18N2O4S/c1-11(2)22-14-6-4-13(5-7-14)19-24(20,21)15-8-9-17-16(10-15)18-12(3)23-17/h4-11,19H,1-3H3
InChIKeyCDUMGBWWJYYKGU-UHFFFAOYSA-N
XLogP3.72
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 84563760
N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
CID 110760599
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112990448
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 54937098
2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759877
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
methyl 4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 110759890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide (CID 110760591) is 2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)ccc2o1.
What is the InChIKey of 2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide?
The InChIKey is CDUMGBWWJYYKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11(2)22-14-6-4-13(5-7-14)19-24(20,21)15-8-9-17-16(10-15)18-12(3)23-17/h4-11,19H,1-3H3.
What are the key properties of 2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide?
2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).