N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C23H26ClN3O4S — CID 55684907

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)ccc1Cl
InChIInChI=1S/C23H26ClN3O4S/c1-3-27(4-2)32(29,30)21-15-18(13-14-19(21)24)26-22(28)11-8-12-23-25-16-20(31-23)17-9-6-5-7-10-17/h5-7,9-10,13-16H,3-4,8,11-12H2,1-2H3,(H,26,28)
InChIKeyMQPJJBDATPSVME-UHFFFAOYSA-N
MW476.00 g/mol
LogP4.99
Rot. Bonds10

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 55684907) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID55684907
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)ccc1Cl
InChIInChI=1S/C23H26ClN3O4S/c1-3-27(4-2)32(29,30)21-15-18(13-14-19(21)24)26-22(28)11-8-12-23-25-16-20(31-23)17-9-6-5-7-10-17/h5-7,9-10,13-16H,3-4,8,11-12H2,1-2H3,(H,26,28)
InChIKeyMQPJJBDATPSVME-UHFFFAOYSA-N
XLogP4.99
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16596491
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24592654
N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide
CID 39717055
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60548909
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119679881
4-[4-chloro-3-(diethylsulfamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133535
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599722
N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24612056
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666411
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937340

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 55684907) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is MQPJJBDATPSVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-3-27(4-2)32(29,30)21-15-18(13-14-19(21)24)26-22(28)11-8-12-23-25-16-20(31-23)17-9-6-5-7-10-17/h5-7,9-10,13-16H,3-4,8,11-12H2,1-2H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 476.00 g/mol, XLogP of 4.99, 10 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]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 55684907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).