N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide

C14H19N3O3S2 — CID 138021207

IUPACN-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(C)c1S(=O)(=O)Nc1nnc(CC2CCCC2)o1
InChIInChI=1S/C14H19N3O3S2/c1-9-8-21-10(2)13(9)22(18,19)17-14-16-15-12(20-14)7-11-5-3-4-6-11/h8,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyHBGZLOFJXCLGRC-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.28
Rot. Bonds5

About N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide

N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide (PubChem CID 138021207) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide
PubChem CID138021207
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(C)c1S(=O)(=O)Nc1nnc(CC2CCCC2)o1
InChIInChI=1S/C14H19N3O3S2/c1-9-8-21-10(2)13(9)22(18,19)17-14-16-15-12(20-14)7-11-5-3-4-6-11/h8,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyHBGZLOFJXCLGRC-UHFFFAOYSA-N
XLogP3.28
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide (CID 138021207) is N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide is Cc1csc(C)c1S(=O)(=O)Nc1nnc(CC2CCCC2)o1.
What is the InChIKey of N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide?
The InChIKey is HBGZLOFJXCLGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-9-8-21-10(2)13(9)22(18,19)17-14-16-15-12(20-14)7-11-5-3-4-6-11/h8,11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide?
N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 138021207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).