2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

C23H29N3O3S — CID 10622410

IUPAC2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2N(C)C)c1C
InChIInChI=1S/C23H29N3O3S/c1-15(2)13-18-11-12-19(21(14-18)26(5)6)20-9-7-8-10-22(20)30(27,28)25-23-16(3)17(4)24-29-23/h7-12,14-15,25H,13H2,1-6H3
InChIKeyVRYRTFGNZHRADF-UHFFFAOYSA-N
MW427.57 g/mol
LogP5.02
Rot. Bonds7

About 2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 10622410) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID10622410
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2N(C)C)c1C
InChIInChI=1S/C23H29N3O3S/c1-15(2)13-18-11-12-19(21(14-18)26(5)6)20-9-7-8-10-22(20)30(27,28)25-23-16(3)17(4)24-29-23/h7-12,14-15,25H,13H2,1-6H3
InChIKeyVRYRTFGNZHRADF-UHFFFAOYSA-N
XLogP5.02
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bms 182874
CID 122272
Bms-187308
CID 9908909
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide
CID 9840391
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
CID 9998564
5-Pyrrolidin-1-yl-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10022121
ETA antagonist 1
CID 10068813
5-Amino-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide
CID 10087191
5-(2-Oxo-piperidin-1-yl)-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10318748
N-[5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-1-yl]-acetamide
CID 10338501
5-Isopropylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10361107
5-(Isopropyl-methyl-amino)-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10361993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 10622410) is 2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2N(C)C)c1C.
What is the InChIKey of 2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is VRYRTFGNZHRADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-15(2)13-18-11-12-19(21(14-18)26(5)6)20-9-7-8-10-22(20)30(27,28)25-23-16(3)17(4)24-29-23/h7-12,14-15,25H,13H2,1-6H3.
What are the key properties of 2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 10622410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).