N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide

C19H22ClN3O5S2 — CID 26679245

IUPACN-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C19H22ClN3O5S2/c1-2-28-15-6-4-3-5-14(15)19(25)21-13-17(24)22-9-11-23(12-10-22)30(26,27)18-8-7-16(20)29-18/h3-8H,2,9-13H2,1H3,(H,21,25)
InChIKeyFYVVGAFPJCGAOW-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.06
Rot. Bonds7

About N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide

N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 26679245) has the molecular formula C19H22ClN3O5S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide
PubChem CID26679245
Molecular FormulaC19H22ClN3O5S2
Molecular Weight471.99 g/mol
Exact Mass471.07
IUPAC NameN-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C19H22ClN3O5S2/c1-2-28-15-6-4-3-5-14(15)19(25)21-13-17(24)22-9-11-23(12-10-22)30(26,27)18-8-7-16(20)29-18/h3-8H,2,9-13H2,1H3,(H,21,25)
InChIKeyFYVVGAFPJCGAOW-UHFFFAOYSA-N
XLogP2.06
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 46651151
2-ethoxy-N-[2-oxo-2-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 46559478
2-ethoxy-N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 24552245
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-phenylethylamino)ethanone
CID 112796511
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 18138965
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 27768598
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-pyridin-2-ylethylamino)ethanone
CID 112801113
ethyl 4-[2-[2-[(2-ethoxybenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 7807752
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78773434

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide (CID 26679245) is N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is FYVVGAFPJCGAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S2/c1-2-28-15-6-4-3-5-14(15)19(25)21-13-17(24)22-9-11-23(12-10-22)30(26,27)18-8-7-16(20)29-18/h3-8H,2,9-13H2,1H3,(H,21,25).
What are the key properties of N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide?
N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 471.99 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 26679245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).