4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide

C22H21N3O4S — CID 59144224

IUPAC4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(C)c(OC)c4)oc23)cc1
InChIInChI=1S/C22H21N3O4S/c1-14-7-10-16(13-20(14)28-3)24-22-25-19-6-4-5-18(21(19)29-22)15-8-11-17(12-9-15)30(26,27)23-2/h4-13,23H,1-3H3,(H,24,25)
InChIKeyLBDPJJPWBXECKH-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.46
Rot. Bonds6

About 4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide

4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide (PubChem CID 59144224) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide
PubChem CID59144224
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(C)c(OC)c4)oc23)cc1
InChIInChI=1S/C22H21N3O4S/c1-14-7-10-16(13-20(14)28-3)24-22-25-19-6-4-5-18(21(19)29-22)15-8-11-17(12-9-15)30(26,27)23-2/h4-13,23H,1-3H3,(H,24,25)
InChIKeyLBDPJJPWBXECKH-UHFFFAOYSA-N
XLogP4.46
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-methylsulfonylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24800947
7-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24800772
4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide
CID 24800777
7-(3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24801815
3-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide
CID 24801814
3-[2-(3-methoxy-4-piperazin-1-ylanilino)-1,3-benzoxazol-7-yl]benzamide
CID 171348432
7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
CID 24801484
4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide
CID 141288623
3-methoxy-4-methyl-N-phenylaniline;4-methylbenzenesulfonic acid
CID 91301925
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465104
7-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,3-benzoxazol-2-amine
CID 59144297

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide (CID 59144224) is 4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(C)c(OC)c4)oc23)cc1.
What is the InChIKey of 4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide?
The InChIKey is LBDPJJPWBXECKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-14-7-10-16(13-20(14)28-3)24-22-25-19-6-4-5-18(21(19)29-22)15-8-11-17(12-9-15)30(26,27)23-2/h4-13,23H,1-3H3,(H,24,25).
What are the key properties of 4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide?
4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide has a molecular weight of 423.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 59144224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).