N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

C20H20ClN3O4S — CID 55666411

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3)no2)ccc1Cl
InChIInChI=1S/C20H20ClN3O4S/c1-3-24(4-2)29(26,27)19-12-15(10-11-16(19)21)22-20(25)18-13-17(23-28-18)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,22,25)
InChIKeyYIXANMQZUJWEDR-UHFFFAOYSA-N
MW433.92 g/mol
LogP4.28
Rot. Bonds7

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 55666411) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID55666411
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3)no2)ccc1Cl
InChIInChI=1S/C20H20ClN3O4S/c1-3-24(4-2)29(26,27)19-12-15(10-11-16(19)21)22-20(25)18-13-17(23-28-18)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,22,25)
InChIKeyYIXANMQZUJWEDR-UHFFFAOYSA-N
XLogP4.28
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55638766
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55875545
5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide
CID 55666487
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119679906
3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 55914989
3-phenyl-N-[3-(sulfamoylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60610490
2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 51618352
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55684907
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
CID 78884488

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 55666411) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3)no2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is YIXANMQZUJWEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-3-24(4-2)29(26,27)19-12-15(10-11-16(19)21)22-20(25)18-13-17(23-28-18)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,22,25).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 433.92 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55666411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).