N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide

C21H25N3O3S — CID 10620958

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(N(C)C(C)C)cc2)c1C
InChIInChI=1S/C21H25N3O3S/c1-14(2)24(5)18-12-10-17(11-13-18)19-8-6-7-9-20(19)28(25,26)23-21-15(3)16(4)22-27-21/h6-14,23H,1-5H3
InChIKeyJMOKQTVZMIQIBR-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.60
Rot. Bonds6

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide (PubChem CID 10620958) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide
PubChem CID10620958
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(N(C)C(C)C)cc2)c1C
InChIInChI=1S/C21H25N3O3S/c1-14(2)24(5)18-12-10-17(11-13-18)19-8-6-7-9-20(19)28(25,26)23-21-15(3)16(4)22-27-21/h6-14,23H,1-5H3
InChIKeyJMOKQTVZMIQIBR-UHFFFAOYSA-N
XLogP4.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide with MolForge

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Related Compounds

Bms 182874
CID 122272
Bms-187308
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N-(3,4-Dimethyl-isoxazol-5-yl)-2-pyridin-2-yl-benzenesulfonamide
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5-Ethylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 9974857
N-[8-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-2-yl]-acetamide
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5-Pyrrolidin-1-yl-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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ETA antagonist 1
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide (CID 10620958) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(N(C)C(C)C)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is JMOKQTVZMIQIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-14(2)24(5)18-12-10-17(11-13-18)19-8-6-7-9-20(19)28(25,26)23-21-15(3)16(4)22-27-21/h6-14,23H,1-5H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 10620958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).