N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide

C17H22N4O3S2 — CID 46333696

IUPACN-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C17H22N4O3S2/c1-2-19-17(22)13-5-6-15(21-9-7-18-8-10-21)14(12-13)20-26(23,24)16-4-3-11-25-16/h3-6,11-12,18,20H,2,7-10H2,1H3,(H,19,22)
InChIKeyKCJLHUOHLOCECW-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.71
Rot. Bonds6

About N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide

N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 46333696) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID46333696
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC NameN-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C17H22N4O3S2/c1-2-19-17(22)13-5-6-15(21-9-7-18-8-10-21)14(12-13)20-26(23,24)16-4-3-11-25-16/h3-6,11-12,18,20H,2,7-10H2,1H3,(H,19,22)
InChIKeyKCJLHUOHLOCECW-UHFFFAOYSA-N
XLogP1.71
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46333657
ethyl 4-[4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 46333344
N-[(2-fluorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid
CID 146059504
N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333714
N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid
CID 146059051
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide
CID 46333711
N-ethyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059399
3-[(2,4-dimethylphenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059395
3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)-4-piperazin-1-ylbenzamide
CID 46333677
3-[(3-chloro-4-methylphenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059408
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46291877
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333780

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide (CID 46333696) is N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide is CCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is KCJLHUOHLOCECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-2-19-17(22)13-5-6-15(21-9-7-18-8-10-21)14(12-13)20-26(23,24)16-4-3-11-25-16/h3-6,11-12,18,20H,2,7-10H2,1H3,(H,19,22).
What are the key properties of N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 394.52 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 46333696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).