2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide

C19H21NO4S3 — CID 121170232

IUPAC2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C19H21NO4S3/c1-3-24-16-7-6-14(2)11-17(16)27(22,23)20-13-19(21,15-8-10-25-12-15)18-5-4-9-26-18/h4-12,20-21H,3,13H2,1-2H3
InChIKeyOGPRQKWQLXNLPC-UHFFFAOYSA-N
MW423.58 g/mol
LogP3.73
Rot. Bonds8

About 2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide

2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide (PubChem CID 121170232) has the molecular formula C19H21NO4S3 and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
PubChem CID121170232
Molecular FormulaC19H21NO4S3
Molecular Weight423.58 g/mol
Exact Mass423.06
IUPAC Name2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C19H21NO4S3/c1-3-24-16-7-6-14(2)11-17(16)27(22,23)20-13-19(21,15-8-10-25-12-15)18-5-4-9-26-18/h4-12,20-21H,3,13H2,1-2H3
InChIKeyOGPRQKWQLXNLPC-UHFFFAOYSA-N
XLogP3.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760232
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760233
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 121170234
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 121170237
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-nitrobenzenesulfonamide
CID 121170212
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide
CID 124878125
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 121170241
1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea
CID 124878238
4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 121170202
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-propan-2-ylbenzenesulfonamide
CID 121170206
4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide
CID 90500244
4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 129417818

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide (CID 121170232) is 2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)NCC(O)(c1ccsc1)c1cccs1.
What is the InChIKey of 2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide?
The InChIKey is OGPRQKWQLXNLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S3/c1-3-24-16-7-6-14(2)11-17(16)27(22,23)20-13-19(21,15-8-10-25-12-15)18-5-4-9-26-18/h4-12,20-21H,3,13H2,1-2H3.
What are the key properties of 2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide?
2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide has a molecular weight of 423.58 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 121170232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).