4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C18H17NO4S3 — CID 121170202

IUPAC4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(O)(c2ccsc2)c2cccs2)cc1
InChIInChI=1S/C18H17NO4S3/c1-13(20)14-4-6-16(7-5-14)26(22,23)19-12-18(21,15-8-10-24-11-15)17-3-2-9-25-17/h2-11,19,21H,12H2,1H3
InChIKeyYMFUCVWUNLIVKZ-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.23
Rot. Bonds7

About 4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide

4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 121170202) has the molecular formula C18H17NO4S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID121170202
Molecular FormulaC18H17NO4S3
Molecular Weight407.54 g/mol
Exact Mass407.03
IUPAC Name4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(O)(c2ccsc2)c2cccs2)cc1
InChIInChI=1S/C18H17NO4S3/c1-13(20)14-4-6-16(7-5-14)26(22,23)19-12-18(21,15-8-10-24-11-15)17-3-2-9-25-17/h2-11,19,21H,12H2,1H3
InChIKeyYMFUCVWUNLIVKZ-UHFFFAOYSA-N
XLogP3.23
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 121170241
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-propan-2-ylbenzenesulfonamide
CID 121170206
4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 129417818
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760233
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760232
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 121170267
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-methoxy-3,5-dimethylbenzenesulfonamide
CID 121170234
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 124878466
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-nitrobenzenesulfonamide
CID 121170212
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 121170237
N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 121170202) is 4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC(O)(c2ccsc2)c2cccs2)cc1.
What is the InChIKey of 4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is YMFUCVWUNLIVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S3/c1-13(20)14-4-6-16(7-5-14)26(22,23)19-12-18(21,15-8-10-24-11-15)17-3-2-9-25-17/h2-11,19,21H,12H2,1H3.
What are the key properties of 4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 121170202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).