N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide

C22H21N3O4S2 — CID 50821938

IUPACN-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1
InChIInChI=1S/C22H21N3O4S2/c1-4-28-18-12-10-17(11-13-18)25(3)31(26,27)20-14-19(30-15(20)2)22-23-21(24-29-22)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3
InChIKeyQOSMIBPTGATMKM-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.00
Rot. Bonds7

About N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide

N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (PubChem CID 50821938) has the molecular formula C22H21N3O4S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
PubChem CID50821938
Molecular FormulaC22H21N3O4S2
Molecular Weight455.56 g/mol
Exact Mass455.10
IUPAC NameN-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1
InChIInChI=1S/C22H21N3O4S2/c1-4-28-18-12-10-17(11-13-18)25(3)31(26,27)20-14-19(30-15(20)2)22-23-21(24-29-22)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3
InChIKeyQOSMIBPTGATMKM-UHFFFAOYSA-N
XLogP5.00
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,2-dimethylthiophene-3-sulfonamide
CID 50821197
N-cyclohexyl-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821802
N-(4-ethoxyphenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821332
N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821805
2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide
CID 30850119
N-(4-chlorophenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 53077475
5-[4-(azepan-1-ylsulfonyl)-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822010
N,N-diethyl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821371
5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822112
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50822038
N-[(4-fluorophenyl)methyl]-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821963
5-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822109

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (CID 50821938) is N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is CCOc1ccc(N(C)S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is QOSMIBPTGATMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S2/c1-4-28-18-12-10-17(11-13-18)25(3)31(26,27)20-14-19(30-15(20)2)22-23-21(24-29-22)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 455.56 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50821938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).