N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide

C20H21N3O4S — CID 109061114

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)NCCCc3ccccc3)cc2)no1
InChIInChI=1S/C20H21N3O4S/c1-15-14-19(23-27-15)22-20(24)17-9-11-18(12-10-17)28(25,26)21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,21H,5,8,13H2,1H3,(H,22,23,24)
InChIKeyFPOMQLZQSLKWNL-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.15
Rot. Bonds8

About N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide

N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide (PubChem CID 109061114) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide
PubChem CID109061114
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)NCCCc3ccccc3)cc2)no1
InChIInChI=1S/C20H21N3O4S/c1-15-14-19(23-27-15)22-20(24)17-9-11-18(12-10-17)28(25,26)21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,21H,5,8,13H2,1H3,(H,22,23,24)
InChIKeyFPOMQLZQSLKWNL-UHFFFAOYSA-N
XLogP3.15
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17225907
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(2-phenylethoxy)benzamide
CID 4956376
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide
CID 6503048
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194952
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259621
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide
CID 110370442

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide (CID 109061114) is N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCCc3ccccc3)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide?
The InChIKey is FPOMQLZQSLKWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-15-14-19(23-27-15)22-20(24)17-9-11-18(12-10-17)28(25,26)21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,21H,5,8,13H2,1H3,(H,22,23,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide has a molecular weight of 399.47 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide is sourced from PubChem (CID 109061114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).