N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C21H25N3O4S — CID 47904784

IUPACN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15(2)24(3)29(26,27)18-11-9-16(10-12-18)14-22-21(25)19-13-20(28-23-19)17-7-5-4-6-8-17/h4-12,15,20H,13-14H2,1-3H3,(H,22,25)
InChIKeyLOIYXKSXUQJDPD-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.85
Rot. Bonds7

About N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 47904784) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID47904784
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15(2)24(3)29(26,27)18-11-9-16(10-12-18)14-22-21(25)19-13-20(28-23-19)17-7-5-4-6-8-17/h4-12,15,20H,13-14H2,1-3H3,(H,22,25)
InChIKeyLOIYXKSXUQJDPD-UHFFFAOYSA-N
XLogP2.85
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

(5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94605167
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
CID 47731867
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 47731927
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47731570
N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167917657
1-benzyl-1,2-dimethyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 110950418
4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
CID 122030686
5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167898515
5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide
CID 60584852
2-methyl-1-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111856757
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
CID 47732115

Frequently Asked Questions

What is the IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 47904784) is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C2=NOC(c3ccccc3)C2)cc1.
What is the InChIKey of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is LOIYXKSXUQJDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15(2)24(3)29(26,27)18-11-9-16(10-12-18)14-22-21(25)19-13-20(28-23-19)17-7-5-4-6-8-17/h4-12,15,20H,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47904784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).