5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide

C12H17N3O3S2 — CID 110368533

IUPAC5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nnc(C(C)C)o2)s1
InChIInChI=1S/C12H17N3O3S2/c1-8(2)12-15-14-10(18-12)6-7-13-20(16,17)11-5-4-9(3)19-11/h4-5,8,13H,6-7H2,1-3H3
InChIKeyYIBXJGCJIILUDC-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.08
Rot. Bonds6

About 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110368533) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110368533
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nnc(C(C)C)o2)s1
InChIInChI=1S/C12H17N3O3S2/c1-8(2)12-15-14-10(18-12)6-7-13-20(16,17)11-5-4-9(3)19-11/h4-5,8,13H,6-7H2,1-3H3
InChIKeyYIBXJGCJIILUDC-UHFFFAOYSA-N
XLogP2.08
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110321138
2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368567
2-chloro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368569
3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110368560
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110368571
1-(4-chlorophenyl)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110368545
5-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722046
5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide
CID 110401619
3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110368347
2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 80540211
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110717209
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide (CID 110368533) is 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCc2nnc(C(C)C)o2)s1.
What is the InChIKey of 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YIBXJGCJIILUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-8(2)12-15-14-10(18-12)6-7-13-20(16,17)11-5-4-9(3)19-11/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110368533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).