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

C24H24N4O4S2 — CID 60548847

IUPACN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CCCc3nc(-c4cccs4)no3)ccc2C)c1
InChIInChI=1S/C24H24N4O4S2/c1-16-6-3-7-19(14-16)28-34(30,31)21-15-18(12-11-17(21)2)25-22(29)9-4-10-23-26-24(27-32-23)20-8-5-13-33-20/h3,5-8,11-15,28H,4,9-10H2,1-2H3,(H,25,29)
InChIKeyMPYDFUJWZIKXLQ-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.18
Rot. Bonds9

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

N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 60548847) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID60548847
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC NameN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CCCc3nc(-c4cccs4)no3)ccc2C)c1
InChIInChI=1S/C24H24N4O4S2/c1-16-6-3-7-19(14-16)28-34(30,31)21-15-18(12-11-17(21)2)25-22(29)9-4-10-23-26-24(27-32-23)20-8-5-13-33-20/h3,5-8,11-15,28H,4,9-10H2,1-2H3,(H,25,29)
InChIKeyMPYDFUJWZIKXLQ-UHFFFAOYSA-N
XLogP5.18
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 38924123
N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55687080
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612290
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60548909
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 56502481
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55957281
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17482609
4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
N-(4-methylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089801
N-[4-(dimethylamino)-3,5-difluorophenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55862290

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 60548847) is N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CCCc3nc(-c4cccs4)no3)ccc2C)c1.
What is the InChIKey of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is MPYDFUJWZIKXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-16-6-3-7-19(14-16)28-34(30,31)21-15-18(12-11-17(21)2)25-22(29)9-4-10-23-26-24(27-32-23)20-8-5-13-33-20/h3,5-8,11-15,28H,4,9-10H2,1-2H3,(H,25,29).
What are the key properties of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 496.61 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 60548847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).