4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide

C16H14ClN3O4S2 — CID 18586068

IUPAC4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C16H14ClN3O4S2/c17-11-5-7-12(8-6-11)26(22,23)10-2-4-14(21)18-16-20-19-15(24-16)13-3-1-9-25-13/h1,3,5-9H,2,4,10H2,(H,18,20,21)
InChIKeyORVUIJZASSUNLY-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.64
Rot. Bonds7

About 4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide

4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide (PubChem CID 18586068) has the molecular formula C16H14ClN3O4S2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide
PubChem CID18586068
Molecular FormulaC16H14ClN3O4S2
Molecular Weight411.89 g/mol
Exact Mass411.01
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C16H14ClN3O4S2/c17-11-5-7-12(8-6-11)26(22,23)10-2-4-14(21)18-16-20-19-15(24-16)13-3-1-9-25-13/h1,3,5-9H,2,4,10H2,(H,18,20,21)
InChIKeyORVUIJZASSUNLY-UHFFFAOYSA-N
XLogP3.64
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 41273921
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 43976534
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273832
4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43975968
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273518
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 43971944
4-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974664
N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 75521986
3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
CID 52830653
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 25283269

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide (CID 18586068) is 4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide is O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2cccs2)o1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
The InChIKey is ORVUIJZASSUNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S2/c17-11-5-7-12(8-6-11)26(22,23)10-2-4-14(21)18-16-20-19-15(24-16)13-3-1-9-25-13/h1,3,5-9H,2,4,10H2,(H,18,20,21).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide has a molecular weight of 411.89 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide is sourced from PubChem (CID 18586068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).