N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide

C21H26N4O4S — CID 31951447

IUPACN-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-2-17-5-7-18(8-6-17)21(27)25-14-12-24(13-15-25)20(26)9-11-23-30(28,29)19-4-3-10-22-16-19/h3-8,10,16,23H,2,9,11-15H2,1H3
InChIKeyBGQMEUBTQICFDH-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.30
Rot. Bonds7

About N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide

N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide (PubChem CID 31951447) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
PubChem CID31951447
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-2-17-5-7-18(8-6-17)21(27)25-14-12-24(13-15-25)20(26)9-11-23-30(28,29)19-4-3-10-22-16-19/h3-8,10,16,23H,2,9,11-15H2,1H3
InChIKeyBGQMEUBTQICFDH-UHFFFAOYSA-N
XLogP1.30
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride
CID 119647156
N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990
4-ethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521148
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
CID 119412199
N-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 38046295
3-(4-ethylphenyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798892
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
N-propylpyridine-3-sulfonamide
CID 43258995
4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55850851
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide (CID 31951447) is N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide is CCc1ccc(C(=O)N2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
The InChIKey is BGQMEUBTQICFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-2-17-5-7-18(8-6-17)21(27)25-14-12-24(13-15-25)20(26)9-11-23-30(28,29)19-4-3-10-22-16-19/h3-8,10,16,23H,2,9,11-15H2,1H3.
What are the key properties of N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide has a molecular weight of 430.53 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 31951447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).