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

C24H23N5O3S — CID 55957281

IUPACN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)CCc3nc(-c4cccs4)no3)c2)c1
InChIInChI=1S/C24H23N5O3S/c1-16-5-2-7-18(13-16)26-24(31)27-19-8-3-6-17(14-19)15-25-21(30)10-11-22-28-23(29-32-22)20-9-4-12-33-20/h2-9,12-14H,10-11,15H2,1H3,(H,25,30)(H2,26,27,31)
InChIKeyGMSMWVRQNJZHQE-UHFFFAOYSA-N
MW461.55 g/mol
LogP5.00
Rot. Bonds8

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

N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55957281) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55957281
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)CCc3nc(-c4cccs4)no3)c2)c1
InChIInChI=1S/C24H23N5O3S/c1-16-5-2-7-18(13-16)26-24(31)27-19-8-3-6-17(14-19)15-25-21(30)10-11-22-28-23(29-32-22)20-9-4-12-33-20/h2-9,12-14H,10-11,15H2,1H3,(H,25,30)(H2,26,27,31)
InChIKeyGMSMWVRQNJZHQE-UHFFFAOYSA-N
XLogP5.00
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
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CID 17482609
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18118907
N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36666041
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55467129
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55745979
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 60548847
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 155947354
3-(3,5-dimethoxyphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 51127201

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55957281) is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CCc3nc(-c4cccs4)no3)c2)c1.
What is the InChIKey of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GMSMWVRQNJZHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-16-5-2-7-18(13-16)26-24(31)27-19-8-3-6-17(14-19)15-25-21(30)10-11-22-28-23(29-32-22)20-9-4-12-33-20/h2-9,12-14H,10-11,15H2,1H3,(H,25,30)(H2,26,27,31).
What are the key properties of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 461.55 g/mol, XLogP of 5.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55957281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).