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

C25H30N4O4S — CID 4795536

IUPACN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C25H30N4O4S/c1-4-29(5-2)34(31,32)20-13-14-22(28-15-9-10-16-28)21(17-20)26-25(30)23-18(3)33-27-24(23)19-11-7-6-8-12-19/h6-8,11-14,17H,4-5,9-10,15-16H2,1-3H3,(H,26,30)
InChIKeyPWIRZLMTTOOGAI-UHFFFAOYSA-N
MW482.61 g/mol
LogP4.53
Rot. Bonds8

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

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 4795536) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID4795536
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C25H30N4O4S/c1-4-29(5-2)34(31,32)20-13-14-22(28-15-9-10-16-28)21(17-20)26-25(30)23-18(3)33-27-24(23)19-11-7-6-8-12-19/h6-8,11-14,17H,4-5,9-10,15-16H2,1-3H3,(H,26,30)
InChIKeyPWIRZLMTTOOGAI-UHFFFAOYSA-N
XLogP4.53
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide
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N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
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N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 29251421
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-1-benzothiophene-2-carboxamide
CID 16561052
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60529635
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4986989
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
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N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 4795536) is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is PWIRZLMTTOOGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-4-29(5-2)34(31,32)20-13-14-22(28-15-9-10-16-28)21(17-20)26-25(30)23-18(3)33-27-24(23)19-11-7-6-8-12-19/h6-8,11-14,17H,4-5,9-10,15-16H2,1-3H3,(H,26,30).
What are the key properties of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4795536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).