4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide

C16H21NO4S2 — CID 90500244

IUPAC4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(C)(O)c2cccs2)cc1C
InChIInChI=1S/C16H21NO4S2/c1-4-21-14-8-7-13(10-12(14)2)23(19,20)17-11-16(3,18)15-6-5-9-22-15/h5-10,17-18H,4,11H2,1-3H3
InChIKeyZOPIHDCWPKPQKG-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.64
Rot. Bonds7

About 4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide

4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide (PubChem CID 90500244) has the molecular formula C16H21NO4S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide
PubChem CID90500244
Molecular FormulaC16H21NO4S2
Molecular Weight355.48 g/mol
Exact Mass355.09
IUPAC Name4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(C)(O)c2cccs2)cc1C
InChIInChI=1S/C16H21NO4S2/c1-4-21-14-8-7-13(10-12(14)2)23(19,20)17-11-16(3,18)15-6-5-9-22-15/h5-10,17-18H,4,11H2,1-3H3
InChIKeyZOPIHDCWPKPQKG-UHFFFAOYSA-N
XLogP2.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
CID 95983496
N-(2,3-dihydroxy-2-methylpropyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 66169279
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 71782466
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 95368051
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 97355211
2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 121170232
N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 86954121
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
1-[(3-ethoxy-4-methoxyphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440651
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 71782464

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide (CID 90500244) is 4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(C)(O)c2cccs2)cc1C.
What is the InChIKey of 4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide?
The InChIKey is ZOPIHDCWPKPQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S2/c1-4-21-14-8-7-13(10-12(14)2)23(19,20)17-11-16(3,18)15-6-5-9-22-15/h5-10,17-18H,4,11H2,1-3H3.
What are the key properties of 4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide?
4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide has a molecular weight of 355.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 90500244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).