4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

C19H25N5O4S — CID 25285319

IUPAC4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5O4S/c1-2-28-17-6-4-16(5-7-17)18(25)20-10-15-29(26,27)24-13-11-23(12-14-24)19-21-8-3-9-22-19/h3-9H,2,10-15H2,1H3,(H,20,25)
InChIKeyBFSWSTGYBFCXJJ-UHFFFAOYSA-N
MW419.51 g/mol
LogP0.76
Rot. Bonds8

About 4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (PubChem CID 25285319) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
PubChem CID25285319
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Name4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5O4S/c1-2-28-17-6-4-16(5-7-17)18(25)20-10-15-29(26,27)24-13-11-23(12-14-24)19-21-8-3-9-22-19/h3-9H,2,10-15H2,1H3,(H,20,25)
InChIKeyBFSWSTGYBFCXJJ-UHFFFAOYSA-N
XLogP0.76
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
(4-Butoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2094435
(4-Methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2811138
2-[4-(4-Ethoxybenzoyl)-1-piperazinyl]pyrimidine
CID 903926
4-Methoxyphenyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 2167052
6-[(E)-2-(aminomethyl)-3-fluoro-allyloxy]-2-(pyrimidin-2-yl)-3,4-dihydro isoquinolin-1-one
CID 142613309
N-(Benzylsulfonyl)-4-Propoxy-3-({[4-(Pyrimidin-2-Yl)benzoyl]amino}methyl)benzamide
CID 118704890
4-methoxy-N-[2-(3-pyridinyl)-4-pyrimidinyl]benzenecarboxamide
CID 1477565
[4-(3-Methylbutoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2111802
N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 2432318
(4-Methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3233116
4-ethoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 4793449

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (CID 25285319) is 4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The InChIKey is BFSWSTGYBFCXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-2-28-17-6-4-16(5-7-17)18(25)20-10-15-29(26,27)24-13-11-23(12-14-24)19-21-8-3-9-22-19/h3-9H,2,10-15H2,1H3,(H,20,25).
What are the key properties of 4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide has a molecular weight of 419.51 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 25285319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).