N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide

C15H12ClN3O4S2 — CID 44921880

IUPACN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide
SMILESO=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClN3O4S2/c16-12-7-6-11(24-12)14(20)17-15-19-18-13(23-15)8-9-25(21,22)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19,20)
InChIKeyKHLLFKFDHYSWQQ-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.05
Rot. Bonds6

About N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide

N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide (PubChem CID 44921880) has the molecular formula C15H12ClN3O4S2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide
PubChem CID44921880
Molecular FormulaC15H12ClN3O4S2
Molecular Weight397.87 g/mol
Exact Mass397.00
IUPAC NameN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide
SMILESO=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClN3O4S2/c16-12-7-6-11(24-12)14(20)17-15-19-18-13(23-15)8-9-25(21,22)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19,20)
InChIKeyKHLLFKFDHYSWQQ-UHFFFAOYSA-N
XLogP3.05
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2,5-dichlorobenzamide
CID 44921886
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 44921964
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 44921919
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide
CID 44921962
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 44921935
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 44921990
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849494
5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43973938
5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 3688984
5-chloro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 7294998
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 44921726
4-(benzenesulfonyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921689

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide (CID 44921880) is N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide is O=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)s1.
What is the InChIKey of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide?
The InChIKey is KHLLFKFDHYSWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S2/c16-12-7-6-11(24-12)14(20)17-15-19-18-13(23-15)8-9-25(21,22)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19,20).
What are the key properties of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide?
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 44921880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).