4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide

C24H23N3O4S — CID 18439663

IUPAC4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1Nc1ncc(-c2cccc(-c3ccccc3)c2)o1
InChIInChI=1S/C24H23N3O4S/c1-27(2)32(28,29)20-12-13-22(30-3)21(15-20)26-24-25-16-23(31-24)19-11-7-10-18(14-19)17-8-5-4-6-9-17/h4-16H,1-3H3,(H,25,26)
InChIKeyYRLPGPBYYSASKZ-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.01
Rot. Bonds7

About 4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide

4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide (PubChem CID 18439663) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
PubChem CID18439663
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1Nc1ncc(-c2cccc(-c3ccccc3)c2)o1
InChIInChI=1S/C24H23N3O4S/c1-27(2)32(28,29)20-12-13-22(30-3)21(15-20)26-24-25-16-23(31-24)19-11-7-10-18(14-19)17-8-5-4-6-9-17/h4-16H,1-3H3,(H,25,26)
InChIKeyYRLPGPBYYSASKZ-UHFFFAOYSA-N
XLogP5.01
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(3-fluorophenyl)phenyl]-1,3-oxazol-2-amine
CID 18439732
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(2-phenylpyrimidin-4-yl)phenyl]-1,3-oxazol-2-amine
CID 18439730
[3-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]phenyl] benzoate
CID 18439660
N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
CID 18439744
3-(dimethylamino)-1-[3-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]phenyl]prop-2-en-1-one
CID 69456888
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(oxolan-3-yloxy)phenyl]-1,3-oxazol-2-amine
CID 18439737
4-[3-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 10099946
N-[5-ethylsulfonyl-2-[2-(triazol-1-yl)ethoxy]phenyl]-5-phenyl-1,3-oxazol-2-amine
CID 10048827
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-phenylbenzamide
CID 8838647
4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 142884261
N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine
CID 142884270
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide (CID 18439663) is 4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C)cc1Nc1ncc(-c2cccc(-c3ccccc3)c2)o1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide?
The InChIKey is YRLPGPBYYSASKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-27(2)32(28,29)20-12-13-22(30-3)21(15-20)26-24-25-16-23(31-24)19-11-7-10-18(14-19)17-8-5-4-6-9-17/h4-16H,1-3H3,(H,25,26).
What are the key properties of 4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide?
4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 18439663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).