4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide

C15H19NO3S2 — CID 110731451

IUPAC4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)c2cccs2)cc1
InChIInChI=1S/C15H19NO3S2/c1-15(2,14-5-4-10-20-14)11-16-21(17,18)13-8-6-12(19-3)7-9-13/h4-10,16H,11H2,1-3H3
InChIKeyOCLLEJWDUSTDKC-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.01
Rot. Bonds6

About 4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide

4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 110731451) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID110731451
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC Name4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)c2cccs2)cc1
InChIInChI=1S/C15H19NO3S2/c1-15(2,14-5-4-10-20-14)11-16-21(17,18)13-8-6-12(19-3)7-9-13/h4-10,16H,11H2,1-3H3
InChIKeyOCLLEJWDUSTDKC-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80522231
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide
CID 113090486
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 80522758
N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 79477673
3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
CID 95983496
2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide
CID 106072628
2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526302
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 90501117
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide
CID 124878125
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide
CID 90524151

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide (CID 110731451) is 4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)(C)c2cccs2)cc1.
What is the InChIKey of 4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is OCLLEJWDUSTDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-15(2,14-5-4-10-20-14)11-16-21(17,18)13-8-6-12(19-3)7-9-13/h4-10,16H,11H2,1-3H3.
What are the key properties of 4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 110731451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).