N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide

C18H13N3O5S — CID 43977757

IUPACN-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc4ccccc4o3)o2)cc1
InChIInChI=1S/C18H13N3O5S/c1-27(23,24)13-8-6-11(7-9-13)17-20-21-18(26-17)19-16(22)15-10-12-4-2-3-5-14(12)25-15/h2-10H,1H3,(H,19,21,22)
InChIKeySHLIGZFNIIXPCH-UHFFFAOYSA-N
MW383.39 g/mol
LogP3.14
Rot. Bonds4

About N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide

N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 43977757) has the molecular formula C18H13N3O5S and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID43977757
Molecular FormulaC18H13N3O5S
Molecular Weight383.39 g/mol
Exact Mass383.06
IUPAC NameN-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc4ccccc4o3)o2)cc1
InChIInChI=1S/C18H13N3O5S/c1-27(23,24)13-8-6-11(7-9-13)17-20-21-18(26-17)19-16(22)15-10-12-4-2-3-5-14(12)25-15/h2-10H,1H3,(H,19,21,22)
InChIKeySHLIGZFNIIXPCH-UHFFFAOYSA-N
XLogP3.14
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43977755
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718301
5-bromo-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43977336
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide
CID 7578257
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide
CID 3550447
2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41028297
(E)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 7578317
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565715
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43978018
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16854423
N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 41227030

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide (CID 43977757) is N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide is CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc4ccccc4o3)o2)cc1.
What is the InChIKey of N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is SHLIGZFNIIXPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O5S/c1-27(23,24)13-8-6-11(7-9-13)17-20-21-18(26-17)19-16(22)15-10-12-4-2-3-5-14(12)25-15/h2-10H,1H3,(H,19,21,22).
What are the key properties of N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 383.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43977757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).