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

C16H17N3O5S2 — CID 46380285

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)c2cc(-c3noc(C)n3)cs2)c1
InChIInChI=1S/C16H17N3O5S2/c1-10-18-16(19-24-10)12-7-15(25-9-12)26(20,21)17-8-11-6-13(22-2)4-5-14(11)23-3/h4-7,9,17H,8H2,1-3H3
InChIKeyJFLVQIQIDWJGKP-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.60
Rot. Bonds7

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

N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide (PubChem CID 46380285) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
PubChem CID46380285
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)c2cc(-c3noc(C)n3)cs2)c1
InChIInChI=1S/C16H17N3O5S2/c1-10-18-16(19-24-10)12-7-15(25-9-12)26(20,21)17-8-11-6-13(22-2)4-5-14(11)23-3/h4-7,9,17H,8H2,1-3H3
InChIKeyJFLVQIQIDWJGKP-UHFFFAOYSA-N
XLogP2.60
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide (CID 46380285) is N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide is COc1ccc(OC)c(CNS(=O)(=O)c2cc(-c3noc(C)n3)cs2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is JFLVQIQIDWJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c1-10-18-16(19-24-10)12-7-15(25-9-12)26(20,21)17-8-11-6-13(22-2)4-5-14(11)23-3/h4-7,9,17H,8H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 395.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 46380285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).