N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

C30H26N2O4S — CID 10529712

IUPACN,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1ccc(-n2c(-c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)coc2=O)cc1
InChIInChI=1S/C30H26N2O4S/c1-23-12-16-27(17-13-23)32-29(22-36-30(32)33)26-14-18-28(19-15-26)37(34,35)31(20-24-8-4-2-5-9-24)21-25-10-6-3-7-11-25/h2-19,22H,20-21H2,1H3
InChIKeyPCKALYUCJFQSLA-UHFFFAOYSA-N
MW510.62 g/mol
LogP5.80
Rot. Bonds8

About N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10529712) has the molecular formula C30H26N2O4S and a molecular weight of 510.62 g/mol. Its IUPAC name is N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10529712
Molecular FormulaC30H26N2O4S
Molecular Weight510.62 g/mol
Exact Mass510.16
IUPAC NameN,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1ccc(-n2c(-c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)coc2=O)cc1
InChIInChI=1S/C30H26N2O4S/c1-23-12-16-27(17-13-23)32-29(22-36-30(32)33)26-14-18-28(19-15-26)37(34,35)31(20-24-8-4-2-5-9-24)21-25-10-6-3-7-11-25/h2-19,22H,20-21H2,1H3
InChIKeyPCKALYUCJFQSLA-UHFFFAOYSA-N
XLogP5.80
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10720596
4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one
CID 20768022
N,N-dibenzyl-4-[2-ethylsulfanyl-3-(4-methylphenyl)imidazol-4-yl]benzenesulfonamide
CID 139217175
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N,N-dibenzyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 56833773
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052
N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10793337
N,N-dibenzyl-4-[3-(4-chlorophenyl)-2-methylsulfanylimidazol-4-yl]benzenesulfonamide
CID 139217178
N-benzyl-N-[(4-methylphenyl)methyl]-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 123162649
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N,N-dibenzyl-4-[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide
CID 23658868
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 71623285

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10529712) is N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is Cc1ccc(-n2c(-c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)coc2=O)cc1.
What is the InChIKey of N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is PCKALYUCJFQSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4S/c1-23-12-16-27(17-13-23)32-29(22-36-30(32)33)26-14-18-28(19-15-26)37(34,35)31(20-24-8-4-2-5-9-24)21-25-10-6-3-7-11-25/h2-19,22H,20-21H2,1H3.
What are the key properties of N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 510.62 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10529712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).