4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide

C27H22N2O5S — CID 10206426

IUPAC4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3oc(-c4ccc(OCc5ccccc5)cc4)nc23)cc1
InChIInChI=1S/C27H22N2O5S/c1-32-21-14-16-23(17-15-21)35(30,31)29-24-8-5-9-25-26(24)28-27(34-25)20-10-12-22(13-11-20)33-18-19-6-3-2-4-7-19/h2-17,29H,18H2,1H3
InChIKeyZWLYCNITJFCZCE-UHFFFAOYSA-N
MW486.55 g/mol
LogP5.88
Rot. Bonds8

About 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide

4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide (PubChem CID 10206426) has the molecular formula C27H22N2O5S and a molecular weight of 486.55 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide
PubChem CID10206426
Molecular FormulaC27H22N2O5S
Molecular Weight486.55 g/mol
Exact Mass486.12
IUPAC Name4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3oc(-c4ccc(OCc5ccccc5)cc4)nc23)cc1
InChIInChI=1S/C27H22N2O5S/c1-32-21-14-16-23(17-15-21)35(30,31)29-24-8-5-9-25-26(24)28-27(34-25)20-10-12-22(13-11-20)33-18-19-6-3-2-4-7-19/h2-17,29H,18H2,1H3
InChIKeyZWLYCNITJFCZCE-UHFFFAOYSA-N
XLogP5.88
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 70053519
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16617005
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 30332754
N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
CID 43580855
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 15293859
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16619794

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide (CID 10206426) is 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3oc(-c4ccc(OCc5ccccc5)cc4)nc23)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide?
The InChIKey is ZWLYCNITJFCZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O5S/c1-32-21-14-16-23(17-15-21)35(30,31)29-24-8-5-9-25-26(24)28-27(34-25)20-10-12-22(13-11-20)33-18-19-6-3-2-4-7-19/h2-17,29H,18H2,1H3.
What are the key properties of 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide?
4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide has a molecular weight of 486.55 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10206426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).