N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C27H27N3O4S — CID 60548909

IUPACN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CCCc3ncc(-c4ccccc4)o3)ccc2C)c1
InChIInChI=1S/C27H27N3O4S/c1-19-8-6-11-23(16-19)30-35(32,33)25-17-22(15-14-20(25)2)29-26(31)12-7-13-27-28-18-24(34-27)21-9-4-3-5-10-21/h3-6,8-11,14-18,30H,7,12-13H2,1-2H3,(H,29,31)
InChIKeyLEJVQIDJWVFFIG-UHFFFAOYSA-N
MW489.60 g/mol
LogP5.72
Rot. Bonds9

About N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 60548909) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID60548909
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC NameN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CCCc3ncc(-c4ccccc4)o3)ccc2C)c1
InChIInChI=1S/C27H27N3O4S/c1-19-8-6-11-23(16-19)30-35(32,33)25-17-22(15-14-20(25)2)29-26(31)12-7-13-27-28-18-24(34-27)21-9-4-3-5-10-21/h3-6,8-11,14-18,30H,7,12-13H2,1-2H3,(H,29,31)
InChIKeyLEJVQIDJWVFFIG-UHFFFAOYSA-N
XLogP5.72
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
CID 60599848
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937340
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55684907
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 60548847
4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24612056
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 120558919
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 34237447
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937830

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 60548909) is N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CCCc3ncc(-c4ccccc4)o3)ccc2C)c1.
What is the InChIKey of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is LEJVQIDJWVFFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-19-8-6-11-23(16-19)30-35(32,33)25-17-22(15-14-20(25)2)29-26(31)12-7-13-27-28-18-24(34-27)21-9-4-3-5-10-21/h3-6,8-11,14-18,30H,7,12-13H2,1-2H3,(H,29,31).
What are the key properties of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 489.60 g/mol, XLogP of 5.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 60548909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).