2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide

C13H17N3O4S2 — CID 166332045

IUPAC2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide
SMILESCOC1CCCC1S(=O)(=O)NCc1noc(-c2cccs2)n1
InChIInChI=1S/C13H17N3O4S2/c1-19-9-4-2-6-11(9)22(17,18)14-8-12-15-13(20-16-12)10-5-3-7-21-10/h3,5,7,9,11,14H,2,4,6,8H2,1H3
InChIKeyRDSHDGDGHHMTGP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.78
Rot. Bonds6

About 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide

2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide (PubChem CID 166332045) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide
PubChem CID166332045
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC Name2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide
SMILESCOC1CCCC1S(=O)(=O)NCc1noc(-c2cccs2)n1
InChIInChI=1S/C13H17N3O4S2/c1-19-9-4-2-6-11(9)22(17,18)14-8-12-15-13(20-16-12)10-5-3-7-21-10/h3,5,7,9,11,14H,2,4,6,8H2,1H3
InChIKeyRDSHDGDGHHMTGP-UHFFFAOYSA-N
XLogP1.78
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide with MolForge

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Related Compounds

N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-sulfonamide
CID 128953261
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 131931459
4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 60809560
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dithiepan-6-amine
CID 131907211
methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
CID 47054237
4-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
CID 131911637
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79791998
(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131930539
2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 43631483
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 50964431
3-[propan-2-yl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 60833768
4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79121097

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide?
The IUPAC name of 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide (CID 166332045) is 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide.
What is the SMILES notation for 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide?
The canonical SMILES for 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide is COC1CCCC1S(=O)(=O)NCc1noc(-c2cccs2)n1.
What is the InChIKey of 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide?
The InChIKey is RDSHDGDGHHMTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c1-19-9-4-2-6-11(9)22(17,18)14-8-12-15-13(20-16-12)10-5-3-7-21-10/h3,5,7,9,11,14H,2,4,6,8H2,1H3.
What are the key properties of 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide?
2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide has a molecular weight of 343.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide is sourced from PubChem (CID 166332045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).