N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide

C12H21N3O3S2 — CID 113053614

IUPACN-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccs1)CCN(C)C
InChIInChI=1S/C12H21N3O3S2/c1-11(16)15(9-8-14(2)3)7-6-13-20(17,18)12-5-4-10-19-12/h4-5,10,13H,6-9H2,1-3H3
InChIKeyUGSIWTNNPSVQJZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.44
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide

N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide (PubChem CID 113053614) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
PubChem CID113053614
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccs1)CCN(C)C
InChIInChI=1S/C12H21N3O3S2/c1-11(16)15(9-8-14(2)3)7-6-13-20(17,18)12-5-4-10-19-12/h4-5,10,13H,6-9H2,1-3H3
InChIKeyUGSIWTNNPSVQJZ-UHFFFAOYSA-N
XLogP0.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 113053636
N-(4-ethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058478
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390
3-[ethyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 61007151
N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058664
N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113061619
N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682
N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064398
N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113060196
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide (CID 113053614) is N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1cccs1)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The InChIKey is UGSIWTNNPSVQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-11(16)15(9-8-14(2)3)7-6-13-20(17,18)12-5-4-10-19-12/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113053614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).