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

C18H21N3O4S2 — CID 86992259

IUPACN-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1N(Cc1nc(CC(C)C)no1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H21N3O4S2/c1-13(2)11-16-19-17(25-20-16)12-21(14-7-4-5-8-15(14)24-3)27(22,23)18-9-6-10-26-18/h4-10,13H,11-12H2,1-3H3
InChIKeyQSYHGSXYWYLDDH-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.73
Rot. Bonds8

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

N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide (PubChem CID 86992259) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
PubChem CID86992259
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1N(Cc1nc(CC(C)C)no1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H21N3O4S2/c1-13(2)11-16-19-17(25-20-16)12-21(14-7-4-5-8-15(14)24-3)27(22,23)18-9-6-10-26-18/h4-10,13H,11-12H2,1-3H3
InChIKeyQSYHGSXYWYLDDH-UHFFFAOYSA-N
XLogP3.73
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide
CID 2089335
N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide
CID 53056055
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 53277887
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55537974
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 30803668
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 124740588
2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
CID 131893683
N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide
CID 47059713
2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 134018560
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide (CID 86992259) is N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide is COc1ccccc1N(Cc1nc(CC(C)C)no1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is QSYHGSXYWYLDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-13(2)11-16-19-17(25-20-16)12-21(14-7-4-5-8-15(14)24-3)27(22,23)18-9-6-10-26-18/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 407.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 86992259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).