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

C27H28N4O5S — CID 10918368

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CC(C)(C)CC2=O)c1C
InChIInChI=1S/C27H28N4O5S/c1-17-18(2)29-36-25(17)30-37(33,34)23-8-6-5-7-22(23)21-10-9-19(26-28-11-12-35-26)13-20(21)15-31-16-27(3,4)14-24(31)32/h5-13,30H,14-16H2,1-4H3
InChIKeyXVGVBINHYILTRX-UHFFFAOYSA-N
MW520.61 g/mol
LogP5.17
Rot. Bonds7

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 10918368) has the molecular formula C27H28N4O5S and a molecular weight of 520.61 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID10918368
Molecular FormulaC27H28N4O5S
Molecular Weight520.61 g/mol
Exact Mass520.18
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CC(C)(C)CC2=O)c1C
InChIInChI=1S/C27H28N4O5S/c1-17-18(2)29-36-25(17)30-37(33,34)23-8-6-5-7-22(23)21-10-9-19(26-28-11-12-35-26)13-20(21)15-31-16-27(3,4)14-24(31)32/h5-13,30H,14-16H2,1-4H3
InChIKeyXVGVBINHYILTRX-UHFFFAOYSA-N
XLogP5.17
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (CID 10918368) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CC(C)(C)CC2=O)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is XVGVBINHYILTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5S/c1-17-18(2)29-36-25(17)30-37(33,34)23-8-6-5-7-22(23)21-10-9-19(26-28-11-12-35-26)13-20(21)15-31-16-27(3,4)14-24(31)32/h5-13,30H,14-16H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 520.61 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10918368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).