N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide

C12H15NO3S3 — CID 71810392

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cccs1)c1ccc(C)s1
InChIInChI=1S/C12H15NO3S3/c1-9-5-6-11(18-9)10(16-2)8-13-19(14,15)12-4-3-7-17-12/h3-7,10,13H,8H2,1-2H3
InChIKeyOZJMWSSAVJIYIP-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.78
Rot. Bonds6

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 71810392) has the molecular formula C12H15NO3S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID71810392
Molecular FormulaC12H15NO3S3
Molecular Weight317.46 g/mol
Exact Mass317.02
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cccs1)c1ccc(C)s1
InChIInChI=1S/C12H15NO3S3/c1-9-5-6-11(18-9)10(16-2)8-13-19(14,15)12-4-3-7-17-12/h3-7,10,13H,8H2,1-2H3
InChIKeyOZJMWSSAVJIYIP-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 97417531
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 90598463
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
methyl 4-[[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 71810408
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 99698254
4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598487
N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide
CID 90500280
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417524
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide
CID 71810393
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 97417537
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97417544

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (CID 71810392) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is COC(CNS(=O)(=O)c1cccs1)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is OZJMWSSAVJIYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S3/c1-9-5-6-11(18-9)10(16-2)8-13-19(14,15)12-4-3-7-17-12/h3-7,10,13H,8H2,1-2H3.
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71810392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).