N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide

C16H16N2O5S2 — CID 53102768

IUPACN-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C)o3)s2)cc1OC
InChIInChI=1S/C16H16N2O5S2/c1-10-17-9-14(23-10)15-6-7-16(24-15)25(19,20)18-11-4-5-12(21-2)13(8-11)22-3/h4-9,18H,1-3H3
InChIKeyIHSFVVCZEKISOQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.53
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53102768) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID53102768
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C)o3)s2)cc1OC
InChIInChI=1S/C16H16N2O5S2/c1-10-17-9-14(23-10)15-6-7-16(24-15)25(19,20)18-11-4-5-12(21-2)13(8-11)22-3/h4-9,18H,1-3H3
InChIKeyIHSFVVCZEKISOQ-UHFFFAOYSA-N
XLogP3.53
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-methyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53102851
5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53102818
N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947510
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
CID 53103004
N-[[5-[(3,4-dimethoxyphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553867
N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 169284611
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-ethoxyphenyl)thiophene-2-sulfonamide
CID 53102898
N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923062
N-(3,4-dimethoxyphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163395
methyl 5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxylate
CID 14871937
N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide (CID 53102768) is N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C)o3)s2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is IHSFVVCZEKISOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-10-17-9-14(23-10)15-6-7-16(24-15)25(19,20)18-11-4-5-12(21-2)13(8-11)22-3/h4-9,18H,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide?
N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 380.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53102768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).