4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide

C18H20N2O3S3 — CID 50839340

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1
InChIInChI=1S/C18H20N2O3S3/c1-18(2,3)15-11-25-17(19-15)12-8-16(24-10-12)26(21,22)20-13-6-5-7-14(9-13)23-4/h5-11,20H,1-4H3
InChIKeyJWUQIHXDVGVYRP-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.98
Rot. Bonds5

About 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 50839340) has the molecular formula C18H20N2O3S3 and a molecular weight of 408.57 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID50839340
Molecular FormulaC18H20N2O3S3
Molecular Weight408.57 g/mol
Exact Mass408.06
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1
InChIInChI=1S/C18H20N2O3S3/c1-18(2,3)15-11-25-17(19-15)12-8-16(24-10-12)26(21,22)20-13-6-5-7-14(9-13)23-4/h5-11,20H,1-4H3
InChIKeyJWUQIHXDVGVYRP-UHFFFAOYSA-N
XLogP4.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53133541
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53042733
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 50839245
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 110409132
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53104415
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134871
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide (CID 50839340) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide is COc1cccc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is JWUQIHXDVGVYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S3/c1-18(2,3)15-11-25-17(19-15)12-8-16(24-10-12)26(21,22)20-13-6-5-7-14(9-13)23-4/h5-11,20H,1-4H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 408.57 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50839340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).