2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C15H16ClFN2O3S2 — CID 4885056

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClFN2O3S2/c1-2-19(24(21,22)15-8-7-13(16)23-15)10-14(20)18-9-11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3,(H,18,20)
InChIKeyYKKLLDOPNJJORT-UHFFFAOYSA-N
MW390.89 g/mol
LogP2.87
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4885056) has the molecular formula C15H16ClFN2O3S2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4885056
Molecular FormulaC15H16ClFN2O3S2
Molecular Weight390.89 g/mol
Exact Mass390.03
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClFN2O3S2/c1-2-19(24(21,22)15-8-7-13(16)23-15)10-14(20)18-9-11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3,(H,18,20)
InChIKeyYKKLLDOPNJJORT-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorobenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 22427303
hydroxamate deriv. B33
CID 23645816
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-[(5-bromothien-2-yl)sulfonyl]-N-(4-fluorobenzyl)glycinamide
CID 15994234
2-[(5-bromo-2-thienyl)sulfonyl-methyl-amino]-N-(4-fluorobenzyl)acetamide
CID 15996742
N-[2-(benzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-[(2-chlorophenyl)methyl]ethanediamide
CID 16032066
N-(4-fluorobenzyl)-N'-[2-(2-thienyl)-2-(2-thienylsulfonyl)ethyl]ethanediamide
CID 16032166
N'-[2-(4-chlorophenyl)ethyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032168
N-(1-benzylpiperidin-4-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 16341401
N1-(4-chlorobenzyl)-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18561601
N1-(4-chlorobenzyl)-N2-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 18574862

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 4885056) is 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YKKLLDOPNJJORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O3S2/c1-2-19(24(21,22)15-8-7-13(16)23-15)10-14(20)18-9-11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 390.89 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4885056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).