N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide

C11H13NO3S3 — CID 90500280

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)c2cccs2)s1
InChIInChI=1S/C11H13NO3S3/c1-8-4-5-11(17-8)18(14,15)12-7-9(13)10-3-2-6-16-10/h2-6,9,12-13H,7H2,1H3
InChIKeyOENKZUZGOAIOSC-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.13
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide (PubChem CID 90500280) has the molecular formula C11H13NO3S3 and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide
PubChem CID90500280
Molecular FormulaC11H13NO3S3
Molecular Weight303.43 g/mol
Exact Mass303.01
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)c2cccs2)s1
InChIInChI=1S/C11H13NO3S3/c1-8-4-5-11(17-8)18(14,15)12-7-9(13)10-3-2-6-16-10/h2-6,9,12-13H,7H2,1H3
InChIKeyOENKZUZGOAIOSC-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide
CID 90500302
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 71810392
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110663305
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309
N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
CID 63733262
3-methyl-2-[[(5-methylthiophen-2-yl)sulfonylamino]methyl]butanoic acid
CID 65221421
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide (CID 90500280) is N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(O)c2cccs2)s1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is OENKZUZGOAIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S3/c1-8-4-5-11(17-8)18(14,15)12-7-9(13)10-3-2-6-16-10/h2-6,9,12-13H,7H2,1H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 90500280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).