N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide

C14H13NO2S2 — CID 166437629

IUPACN-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide
SMILESCS(=O)(=O)N(C#Cc1cccs1)Cc1ccccc1
InChIInChI=1S/C14H13NO2S2/c1-19(16,17)15(10-9-14-8-5-11-18-14)12-13-6-3-2-4-7-13/h2-8,11H,12H2,1H3
InChIKeyKXZPCMHMEYMZDT-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.52
Rot. Bonds3

About N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide

N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide (PubChem CID 166437629) has the molecular formula C14H13NO2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide
PubChem CID166437629
Molecular FormulaC14H13NO2S2
Molecular Weight291.40 g/mol
Exact Mass291.04
IUPAC NameN-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide
SMILESCS(=O)(=O)N(C#Cc1cccs1)Cc1ccccc1
InChIInChI=1S/C14H13NO2S2/c1-19(16,17)15(10-9-14-8-5-11-18-14)12-13-6-3-2-4-7-13/h2-8,11H,12H2,1H3
InChIKeyKXZPCMHMEYMZDT-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzylthiophene-2-sulfonamide
CID 765826
N-(2-Methylpropyl)-N-({5-[4-(Methylsulfonyl)phenyl]thiophen-2-Yl}methyl)-1-Phenylmethanesulfonamide
CID 77620538
N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2447570
4-Phenyl-1-(3-thienylsulfonyl)-1,2,3,6-tetrahydropyridine
CID 2738369
N-isobutyl-N-[5-(3-methanesulfonyl-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 25234324
4-cyano-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519186
N-(2-cyanoethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519191
1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
N-(4-methylbenzyl)-N'-(2-thienylmethyl)sulfamide
CID 1475434
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268
N-benzyl-5-methyl-2-thiophenesulfonamide
CID 2241007
N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide
CID 2813022

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide?
The IUPAC name of N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide (CID 166437629) is N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide?
The canonical SMILES for N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide is CS(=O)(=O)N(C#Cc1cccs1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide?
The InChIKey is KXZPCMHMEYMZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S2/c1-19(16,17)15(10-9-14-8-5-11-18-14)12-13-6-3-2-4-7-13/h2-8,11H,12H2,1H3.
What are the key properties of N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide?
N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide has a molecular weight of 291.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide is sourced from PubChem (CID 166437629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).