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

C19H20N2O3S — CID 70080870

IUPAC2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCC(C)c1cnc(CNS(=O)(=O)c2ccccc2-c2ccccc2)o1
InChIInChI=1S/C19H20N2O3S/c1-14(2)17-12-20-19(24-17)13-21-25(22,23)18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-12,14,21H,13H2,1-2H3
InChIKeyYJYNDIDLPCTGEY-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.94
Rot. Bonds6

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

2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 70080870) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID70080870
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCC(C)c1cnc(CNS(=O)(=O)c2ccccc2-c2ccccc2)o1
InChIInChI=1S/C19H20N2O3S/c1-14(2)17-12-20-19(24-17)13-21-25(22,23)18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-12,14,21H,13H2,1-2H3
InChIKeyYJYNDIDLPCTGEY-UHFFFAOYSA-N
XLogP3.94
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride
CID 120825515
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 71934163
N-(2-hydroxyethyl)-2-phenylbenzenesulfonamide
CID 154485495
2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide
CID 166187504
N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide
CID 39977591
2-ethyl-5-nitro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86854834
2-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184178
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 123140905
ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate
CID 134061973
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide
CID 90314285
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318432

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 70080870) is 2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is CC(C)c1cnc(CNS(=O)(=O)c2ccccc2-c2ccccc2)o1.
What is the InChIKey of 2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is YJYNDIDLPCTGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-14(2)17-12-20-19(24-17)13-21-25(22,23)18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-12,14,21H,13H2,1-2H3.
What are the key properties of 2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 70080870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).