N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide

C17H17NO4S3 — CID 124878125

IUPACN-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c1
InChIInChI=1S/C17H17NO4S3/c1-22-14-4-2-5-15(10-14)25(20,21)18-12-17(19,13-7-9-23-11-13)16-6-3-8-24-16/h2-11,18-19H,12H2,1H3/t17-/m1/s1
InChIKeyWTJBUEBHFZTHKS-QGZVFWFLSA-N
MW395.53 g/mol
LogP3.03
Rot. Bonds7

About N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide

N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide (PubChem CID 124878125) has the molecular formula C17H17NO4S3 and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide
PubChem CID124878125
Molecular FormulaC17H17NO4S3
Molecular Weight395.53 g/mol
Exact Mass395.03
IUPAC NameN-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c1
InChIInChI=1S/C17H17NO4S3/c1-22-14-4-2-5-15(10-14)25(20,21)18-12-17(19,13-7-9-23-11-13)16-6-3-8-24-16/h2-11,18-19H,12H2,1H3/t17-/m1/s1
InChIKeyWTJBUEBHFZTHKS-QGZVFWFLSA-N
XLogP3.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.03
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-methoxy-3,5-dimethylbenzenesulfonamide
CID 121170234
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 121170241
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
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-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]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 124878466
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 121170267
2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 121170232
1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 121170190
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 121170237

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide (CID 124878125) is N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide?
The InChIKey is WTJBUEBHFZTHKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO4S3/c1-22-14-4-2-5-15(10-14)25(20,21)18-12-17(19,13-7-9-23-11-13)16-6-3-8-24-16/h2-11,18-19H,12H2,1H3/t17-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide?
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide has a molecular weight of 395.53 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 124878125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).