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

C20H23N3O3S — CID 10667808

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(NC(C)C)cc2)c1C
InChIInChI=1S/C20H23N3O3S/c1-13(2)21-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(24,25)23-20-14(3)15(4)22-26-20/h5-13,21,23H,1-4H3
InChIKeyBKAUHGLDNGNVCA-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.58
Rot. Bonds6

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide (PubChem CID 10667808) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
PubChem CID10667808
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(NC(C)C)cc2)c1C
InChIInChI=1S/C20H23N3O3S/c1-13(2)21-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(24,25)23-20-14(3)15(4)22-26-20/h5-13,21,23H,1-4H3
InChIKeyBKAUHGLDNGNVCA-UHFFFAOYSA-N
XLogP4.58
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide (CID 10667808) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(NC(C)C)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide?
The InChIKey is BKAUHGLDNGNVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13(2)21-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(24,25)23-20-14(3)15(4)22-26-20/h5-13,21,23H,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(propan-2-ylamino)phenyl]benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 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-(propan-2-ylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 10667808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).