4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide

C18H21N3O4S2 — CID 19258251

IUPAC4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3cccs3)cc2)CC1
InChIInChI=1S/C18H21N3O4S2/c22-14-20-9-11-21(12-10-20)27(24,25)17-5-3-15(4-6-17)18(23)19-8-7-16-2-1-13-26-16/h1-6,13-14H,7-12H2,(H,19,23)
InChIKeyMBSNHTWTHBXKFP-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.18
Rot. Bonds7

About 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide

4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 19258251) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID19258251
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC Name4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3cccs3)cc2)CC1
InChIInChI=1S/C18H21N3O4S2/c22-14-20-9-11-21(12-10-20)27(24,25)17-5-3-15(4-6-17)18(23)19-8-7-16-2-1-13-26-16/h1-6,13-14H,7-12H2,(H,19,23)
InChIKeyMBSNHTWTHBXKFP-UHFFFAOYSA-N
XLogP1.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 19258233
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
(2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 9036914
4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 26011944
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 109058274
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 40819018
1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 60580836
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 30125667
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide (CID 19258251) is 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide is O=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3cccs3)cc2)CC1.
What is the InChIKey of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is MBSNHTWTHBXKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c22-14-20-9-11-21(12-10-20)27(24,25)17-5-3-15(4-6-17)18(23)19-8-7-16-2-1-13-26-16/h1-6,13-14H,7-12H2,(H,19,23).
What are the key properties of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 407.52 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 19258251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).