2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide

C18H20N2O5S — CID 84563253

IUPAC2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(C(C)C)oc3c2)c1
InChIInChI=1S/C18H20N2O5S/c1-11(2)18-19-14-7-5-12(9-16(14)25-18)20-26(21,22)17-10-13(23-3)6-8-15(17)24-4/h5-11,20H,1-4H3
InChIKeyCCPXPEQUWARCTC-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.77
Rot. Bonds6

About 2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide

2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 84563253) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID84563253
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(C(C)C)oc3c2)c1
InChIInChI=1S/C18H20N2O5S/c1-11(2)18-19-14-7-5-12(9-16(14)25-18)20-26(21,22)17-10-13(23-3)6-8-15(17)24-4/h5-11,20H,1-4H3
InChIKeyCCPXPEQUWARCTC-UHFFFAOYSA-N
XLogP3.77
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 84563760
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563223
N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 110724381
N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
methyl 3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 39343906
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
5-fluoro-2-methoxy-N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 164615909

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 84563253) is 2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(C(C)C)oc3c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is CCPXPEQUWARCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-11(2)18-19-14-7-5-12(9-16(14)25-18)20-26(21,22)17-10-13(23-3)6-8-15(17)24-4/h5-11,20H,1-4H3.
What are the key properties of 2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 84563253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).