2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C16H16ClF3N2O3S2 — CID 4843204

IUPAC2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H16ClF3N2O3S2/c1-2-22(10-15(23)21-9-12-4-3-7-26-12)27(24,25)14-6-5-11(17)8-13(14)16(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,23)
InChIKeyAOHJGQOEBLQVQK-UHFFFAOYSA-N
MW440.90 g/mol
LogP3.75
Rot. Bonds7

About 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4843204) has the molecular formula C16H16ClF3N2O3S2 and a molecular weight of 440.90 g/mol. Its IUPAC name is 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4843204
Molecular FormulaC16H16ClF3N2O3S2
Molecular Weight440.90 g/mol
Exact Mass440.02
IUPAC Name2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H16ClF3N2O3S2/c1-2-22(10-15(23)21-9-12-4-3-7-26-12)27(24,25)14-6-5-11(17)8-13(14)16(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,23)
InChIKeyAOHJGQOEBLQVQK-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.90
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-Chlorophenyl)methyl]-2-(N-methylthiophene-2-sulfonamido)acetamide
CID 6619347
N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7012503
N-[2-(benzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-[(2-chlorophenyl)methyl]ethanediamide
CID 16032066
N-(1-benzylpiperidin-4-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 16341401
N1-(4-chlorobenzyl)-N2-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 18574862
2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4885056
N-[(2-Chlorophenyl)methyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 6619079
N-[2-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-[(4-chlorophenyl)methyl]ethanediamide
CID 16032110
N-[(4-chlorophenyl)methyl]-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 2472422
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7012502
N1-(4-chlorobenzyl)-N2-(2-(thiophen-2-yl)-2-tosylethyl)oxalamide
CID 16032085
N-[2-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-[2-(4-fluorophenyl)ethyl]ethanediamide
CID 16032112

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 4843204) is 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AOHJGQOEBLQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O3S2/c1-2-22(10-15(23)21-9-12-4-3-7-26-12)27(24,25)14-6-5-11(17)8-13(14)16(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,23).
What are the key properties of 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 440.90 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4843204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).