N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C21H16N4O3S — CID 55765466

IUPACN-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cccc(NC(=O)c3cccs3)c2)no1
InChIInChI=1S/C21H16N4O3S/c1-13-22-19(25-28-13)16-8-2-3-9-17(16)24-20(26)14-6-4-7-15(12-14)23-21(27)18-10-5-11-29-18/h2-12H,1H3,(H,23,27)(H,24,26)
InChIKeyYICLYHNVHRKKGU-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.61
Rot. Bonds5

About N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55765466) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55765466
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC NameN-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cccc(NC(=O)c3cccs3)c2)no1
InChIInChI=1S/C21H16N4O3S/c1-13-22-19(25-28-13)16-8-2-3-9-17(16)24-20(26)14-6-4-7-15(12-14)23-21(27)18-10-5-11-29-18/h2-12H,1H3,(H,23,27)(H,24,26)
InChIKeyYICLYHNVHRKKGU-UHFFFAOYSA-N
XLogP4.61
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700547
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]thiophene-2-carboxamide
CID 53093367
N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27990641
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide
CID 4900558
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332113
N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55447323
N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46412624
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55766192
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55766056
ethyl 3-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]benzoate
CID 34201771
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 55765466) is N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2cccc(NC(=O)c3cccs3)c2)no1.
What is the InChIKey of N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is YICLYHNVHRKKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c1-13-22-19(25-28-13)16-8-2-3-9-17(16)24-20(26)14-6-4-7-15(12-14)23-21(27)18-10-5-11-29-18/h2-12H,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55765466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).