N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid

C23H32F3N5O5S2 — CID 146059051

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid
SMILESCCN(CCN(C)C)C(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccs2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H31N5O3S2.C2HF3O2/c1-4-25(14-13-24(2)3)21(27)17-7-8-19(26-11-9-22-10-12-26)18(16-17)23-31(28,29)20-6-5-15-30-20;3-2(4,5)1(6)7/h5-8,15-16,22-23H,4,9-14H2,1-3H3;(H,6,7)
InChIKeyWOQAWYLKWQJDPG-UHFFFAOYSA-N
MW579.67 g/mol
LogP2.62
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid

N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 146059051) has the molecular formula C23H32F3N5O5S2 and a molecular weight of 579.67 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid
PubChem CID146059051
Molecular FormulaC23H32F3N5O5S2
Molecular Weight579.67 g/mol
Exact Mass579.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid
SMILESCCN(CCN(C)C)C(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccs2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H31N5O3S2.C2HF3O2/c1-4-25(14-13-24(2)3)21(27)17-7-8-19(26-11-9-22-10-12-26)18(16-17)23-31(28,29)20-6-5-15-30-20;3-2(4,5)1(6)7/h5-8,15-16,22-23H,4,9-14H2,1-3H3;(H,6,7)
InChIKeyWOQAWYLKWQJDPG-UHFFFAOYSA-N
XLogP2.62
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.67
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46333696
N-[(2-fluorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid
CID 146059504
3-[(4-bromophenyl)sulfonylamino]-N,N-diethyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146058882
N-butyl-N-methyl-3-[(2-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059145
N-[2-(diethylamino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfonylamino]-N-methyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146058910
ethyl 4-[4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 46333344
3-[(2-methylphenyl)sulfonylamino]-4-piperazin-1-yl-N,N-bis(prop-2-enyl)benzamide;2,2,2-trifluoroacetic acid
CID 146059146
N-[2-(diethylamino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059020
N-butyl-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059016
3-(benzenesulfonamido)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146058935
N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46333657
4-[2-(dimethylamino)ethyl-ethylamino]-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46292396

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid (CID 146059051) is N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid is CCN(CCN(C)C)C(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccs2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is WOQAWYLKWQJDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3S2.C2HF3O2/c1-4-25(14-13-24(2)3)21(27)17-7-8-19(26-11-9-22-10-12-26)18(16-17)23-31(28,29)20-6-5-15-30-20;3-2(4,5)1(6)7/h5-8,15-16,22-23H,4,9-14H2,1-3H3;(H,6,7).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid?
N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 579.67 g/mol, XLogP of 2.62, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146059051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).