2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide

C20H22N4O4S2 — CID 53133437

IUPAC2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C20H22N4O4S2/c1-14-17(30(26,27)21-10-9-15-7-3-2-4-8-15)13-16(29-14)18-22-23-19(28-18)20(25)24-11-5-6-12-24/h2-4,7-8,13,21H,5-6,9-12H2,1H3
InChIKeyXWJHOKOWIWKUCV-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.86
Rot. Bonds7

About 2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide

2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide (PubChem CID 53133437) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
PubChem CID53133437
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC Name2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C20H22N4O4S2/c1-14-17(30(26,27)21-10-9-15-7-3-2-4-8-15)13-16(29-14)18-22-23-19(28-18)20(25)24-11-5-6-12-24/h2-4,7-8,13,21H,5-6,9-12H2,1H3
InChIKeyXWJHOKOWIWKUCV-UHFFFAOYSA-N
XLogP2.86
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
CID 53133514
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
CID 53133536
N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
CID 53133466
[5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 53133461
N-[(4-chlorophenyl)methyl]-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126505
N-[(2-methoxyphenyl)methyl]-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126548
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 95092083
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
N-(2,6-dimethylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126513
4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 53133626
N-(2-ethyl-6-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126547
5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide
CID 6503048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide (CID 53133437) is 2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide is Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?
The InChIKey is XWJHOKOWIWKUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-14-17(30(26,27)21-10-9-15-7-3-2-4-8-15)13-16(29-14)18-22-23-19(28-18)20(25)24-11-5-6-12-24/h2-4,7-8,13,21H,5-6,9-12H2,1H3.
What are the key properties of 2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?
2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide has a molecular weight of 446.55 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 53133437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).