3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide

C14H16N2O3S2 — CID 130358050

IUPAC3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C14H16N2O3S2/c1-16(2)14(17)10-4-3-5-12(8-10)21(18,19)13-7-6-11(9-15)20-13/h3-8H,9,15H2,1-2H3
InChIKeyQYKCZLUVGUGEFN-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.74
Rot. Bonds4

About 3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide

3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide (PubChem CID 130358050) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide
PubChem CID130358050
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C14H16N2O3S2/c1-16(2)14(17)10-4-3-5-12(8-10)21(18,19)13-7-6-11(9-15)20-13/h3-8H,9,15H2,1-2H3
InChIKeyQYKCZLUVGUGEFN-UHFFFAOYSA-N
XLogP1.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-{[(2-Phenylethyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 6486061
N-methyl-5-phenyl-2-thiophenecarboxamide
CID 3790018
4-[5-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]thiophen-2-yl]benzamide
CID 89665057
4-[5-[[benzylsulfonyl(2-methylpropyl)amino]methyl]thiophen-2-yl]-N,N-dimethylbenzamide
CID 89665061
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
4-Diethylsulfamoyl-thiophene-2-carboxylic acid benzylamide
CID 647357
N-(1,1-dioxo-3-thiolanyl)-N-(thiophen-2-ylmethyl)benzamide
CID 664074

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide?
The IUPAC name of 3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide (CID 130358050) is 3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide?
The canonical SMILES for 3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(S(=O)(=O)c2ccc(CN)s2)c1.
What is the InChIKey of 3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide?
The InChIKey is QYKCZLUVGUGEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-16(2)14(17)10-4-3-5-12(8-10)21(18,19)13-7-6-11(9-15)20-13/h3-8H,9,15H2,1-2H3.
What are the key properties of 3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide?
3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide has a molecular weight of 324.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide is sourced from PubChem (CID 130358050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).