N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

C14H19N3O3S2 — CID 53127206

IUPACN-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1nnc(-c2csc(S(=O)(=O)NC3CCCCCC3)c2)o1
InChIInChI=1S/C14H19N3O3S2/c1-10-15-16-14(20-10)11-8-13(21-9-11)22(18,19)17-12-6-4-2-3-5-7-12/h8-9,12,17H,2-7H2,1H3
InChIKeyGZZJXUXUKPLQDZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.11
Rot. Bonds4

About N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 53127206) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID53127206
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1nnc(-c2csc(S(=O)(=O)NC3CCCCCC3)c2)o1
InChIInChI=1S/C14H19N3O3S2/c1-10-15-16-14(20-10)11-8-13(21-9-11)22(18,19)17-12-6-4-2-3-5-7-12/h8-9,12,17H,2-7H2,1H3
InChIKeyGZZJXUXUKPLQDZ-UHFFFAOYSA-N
XLogP3.11
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393013
2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53127217
N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134880
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126864
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopentylthiophene-2-sulfonamide
CID 53042743
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53127345
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127384
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
5-chloro-N-cyclohexyl-4-methylthiophene-2-sulfonamide
CID 103099871
N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127265
1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 110748367
N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127440

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (CID 53127206) is N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is Cc1nnc(-c2csc(S(=O)(=O)NC3CCCCCC3)c2)o1.
What is the InChIKey of N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is GZZJXUXUKPLQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-10-15-16-14(20-10)11-8-13(21-9-11)22(18,19)17-12-6-4-2-3-5-7-12/h8-9,12,17H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53127206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).