2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C17H20N2O4S2 — CID 2557730

IUPAC2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C17H20N2O4S2/c1-3-19(12-17(21)18-11-15-7-5-9-24-15)25(22,23)16-8-4-6-14(10-16)13(2)20/h4-10H,3,11-12H2,1-2H3,(H,18,21)
InChIKeyNKOPUUUMDWHVGI-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.28
Rot. Bonds8

About 2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2557730) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2557730
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C17H20N2O4S2/c1-3-19(12-17(21)18-11-15-7-5-9-24-15)25(22,23)16-8-4-6-14(10-16)13(2)20/h4-10H,3,11-12H2,1-2H3,(H,18,21)
InChIKeyNKOPUUUMDWHVGI-UHFFFAOYSA-N
XLogP2.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N-(3-methylbutyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide 5,5-dioxide
CID 6620252
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
N-[2-(4-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856371

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 2557730) is 2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NKOPUUUMDWHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-3-19(12-17(21)18-11-15-7-5-9-24-15)25(22,23)16-8-4-6-14(10-16)13(2)20/h4-10H,3,11-12H2,1-2H3,(H,18,21).
What are the key properties of 2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2557730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).