N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C20H23F4N3O5S2 — CID 146061610

IUPACN-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccs1)N(CCS(=O)(=O)N1CCNCC1)Cc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O3S2.C2HF3O2/c19-16-5-3-15(4-6-16)14-21(18(23)17-2-1-12-26-17)11-13-27(24,25)22-9-7-20-8-10-22;3-2(4,5)1(6)7/h1-6,12,20H,7-11,13-14H2;(H,6,7)
InChIKeyFEVKBXREHSOLRH-UHFFFAOYSA-N
MW525.55 g/mol
LogP2.40
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid

N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146061610) has the molecular formula C20H23F4N3O5S2 and a molecular weight of 525.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146061610
Molecular FormulaC20H23F4N3O5S2
Molecular Weight525.55 g/mol
Exact Mass525.10
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccs1)N(CCS(=O)(=O)N1CCNCC1)Cc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O3S2.C2HF3O2/c19-16-5-3-15(4-6-16)14-21(18(23)17-2-1-12-26-17)11-13-27(24,25)22-9-7-20-8-10-22;3-2(4,5)1(6)7/h1-6,12,20H,7-11,13-14H2;(H,6,7)
InChIKeyFEVKBXREHSOLRH-UHFFFAOYSA-N
XLogP2.40
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 146065726
2-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061605
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 146074146
N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 50821050
4-methoxy-N-[(3-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 154578421
N-(3-methoxypropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061651
N-[(2-chlorophenyl)methyl]-2-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061515
N-ethyl-3-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061588
2-fluoro-N-(3-methoxypropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061645
2-methoxy-N-(3-methylbutyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061557
N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061526
4-fluoro-N-(3-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971419

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 146061610) is N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cccs1)N(CCS(=O)(=O)N1CCNCC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FEVKBXREHSOLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S2.C2HF3O2/c19-16-5-3-15(4-6-16)14-21(18(23)17-2-1-12-26-17)11-13-27(24,25)22-9-7-20-8-10-22;3-2(4,5)1(6)7/h1-6,12,20H,7-11,13-14H2;(H,6,7).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 525.55 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146061610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).