4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide

C17H23NO3S2 — CID 90584060

IUPAC4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccsc1
InChIInChI=1S/C17H23NO3S2/c1-17(2,3)14-5-7-15(8-6-14)23(19,20)18-11-16(21-4)13-9-10-22-12-13/h5-10,12,16,18H,11H2,1-4H3
InChIKeyXTUOSNLJOZKZNE-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.71
Rot. Bonds6

About 4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide

4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 90584060) has the molecular formula C17H23NO3S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID90584060
Molecular FormulaC17H23NO3S2
Molecular Weight353.51 g/mol
Exact Mass353.11
IUPAC Name4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccsc1
InChIInChI=1S/C17H23NO3S2/c1-17(2,3)14-5-7-15(8-6-14)23(19,20)18-11-16(21-4)13-9-10-22-12-13/h5-10,12,16,18H,11H2,1-4H3
InChIKeyXTUOSNLJOZKZNE-UHFFFAOYSA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
CID 71804782
N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 90584021
N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
CID 90584057
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 97414483
3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584031
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 97427133
2,4-dichloro-N-(2-methoxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 90584085
N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 90584070
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 97427134

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide (CID 90584060) is 4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide is COC(CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccsc1.
What is the InChIKey of 4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is XTUOSNLJOZKZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S2/c1-17(2,3)14-5-7-15(8-6-14)23(19,20)18-11-16(21-4)13-9-10-22-12-13/h5-10,12,16,18H,11H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 353.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90584060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).