N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C23H28N4O4S — CID 55664000

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)n1
InChIInChI=1S/C23H28N4O4S/c1-17(2)23-25-22(31-26-23)11-7-10-21(28)24-19-12-14-20(15-13-19)32(29,30)27(3)16-18-8-5-4-6-9-18/h4-6,8-9,12-15,17H,7,10-11,16H2,1-3H3,(H,24,28)
InChIKeyUQEFJVNNGOPUCF-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.98
Rot. Bonds10

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55664000) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55664000
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)n1
InChIInChI=1S/C23H28N4O4S/c1-17(2)23-25-22(31-26-23)11-7-10-21(28)24-19-12-14-20(15-13-19)32(29,30)27(3)16-18-8-5-4-6-9-18/h4-6,8-9,12-15,17H,7,10-11,16H2,1-3H3,(H,24,28)
InChIKeyUQEFJVNNGOPUCF-UHFFFAOYSA-N
XLogP3.98
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47029394
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192752
3-phenylpropyl 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-oxobutanoate
CID 4934226
N-(4-tert-butylphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46446507
N-methyl-N-propan-2-yl-4-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]benzamide
CID 55760328
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxyacetamide
CID 3417784
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257534

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55664000) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is UQEFJVNNGOPUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-17(2)23-25-22(31-26-23)11-7-10-21(28)24-19-12-14-20(15-13-19)32(29,30)27(3)16-18-8-5-4-6-9-18/h4-6,8-9,12-15,17H,7,10-11,16H2,1-3H3,(H,24,28).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 456.57 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55664000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).