4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C24H30N4O4S — CID 142884261

IUPAC4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1Nc1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C24H30N4O4S/c1-18-6-8-19(9-7-18)23-17-25-24(32-23)27-21-16-20(10-11-22(21)31-2)33(29,30)26-12-5-15-28-13-3-4-14-28/h6-11,16-17,26H,3-5,12-15H2,1-2H3,(H,25,27)
InChIKeyWMECVWNRZGZNGS-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.17
Rot. Bonds10

About 4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 142884261) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID142884261
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1Nc1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C24H30N4O4S/c1-18-6-8-19(9-7-18)23-17-25-24(32-23)27-21-16-20(10-11-22(21)31-2)33(29,30)26-12-5-15-28-13-3-4-14-28/h6-11,16-17,26H,3-5,12-15H2,1-2H3,(H,25,27)
InChIKeyWMECVWNRZGZNGS-UHFFFAOYSA-N
XLogP4.17
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine
CID 142884270
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
CID 18439744
N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936121
N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958850
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(3-fluorophenyl)phenyl]-1,3-oxazol-2-amine
CID 18439732
4-methoxy-2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 100546802
4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
CID 18439663
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61106956
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913
4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 118462234

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 142884261) is 4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1Nc1ncc(-c2ccc(C)cc2)o1.
What is the InChIKey of 4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is WMECVWNRZGZNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-18-6-8-19(9-7-18)23-17-25-24(32-23)27-21-16-20(10-11-22(21)31-2)33(29,30)26-12-5-15-28-13-3-4-14-28/h6-11,16-17,26H,3-5,12-15H2,1-2H3,(H,25,27).
What are the key properties of 4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 470.60 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 142884261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).