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

C20H22N4O5S2 — CID 53133466

IUPACN-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)sc1C
InChIInChI=1S/C20H22N4O5S2/c1-12-6-7-15(28-3)14(10-12)23-31(26,27)17-11-16(30-13(17)2)18-21-22-19(29-18)20(25)24-8-4-5-9-24/h6-7,10-11,23H,4-5,8-9H2,1-3H3
InChIKeyZYOLPMCZQVSPDJ-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.46
Rot. Bonds6

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

N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide (PubChem CID 53133466) has the molecular formula C20H22N4O5S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
PubChem CID53133466
Molecular FormulaC20H22N4O5S2
Molecular Weight462.55 g/mol
Exact Mass462.10
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)sc1C
InChIInChI=1S/C20H22N4O5S2/c1-12-6-7-15(28-3)14(10-12)23-31(26,27)17-11-16(30-13(17)2)18-21-22-19(29-18)20(25)24-8-4-5-9-24/h6-7,10-11,23H,4-5,8-9H2,1-3H3
InChIKeyZYOLPMCZQVSPDJ-UHFFFAOYSA-N
XLogP3.46
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
2-methyl-N-(2-phenylethyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
CID 53133437
N-(3,4-dimethoxyphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53011733
N-(2,4-dimethylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126534
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)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777514
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126618
[5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 53133461
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126506
N-(2,6-dimethylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126513
N-(2-methoxy-5-methylphenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138816
N-[(2-methoxyphenyl)methyl]-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126548

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide (CID 53133466) is N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)sc1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?
The InChIKey is ZYOLPMCZQVSPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S2/c1-12-6-7-15(28-3)14(10-12)23-31(26,27)17-11-16(30-13(17)2)18-21-22-19(29-18)20(25)24-8-4-5-9-24/h6-7,10-11,23H,4-5,8-9H2,1-3H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?
N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide has a molecular weight of 462.55 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 53133466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).