[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone

C23H29N3O5S — CID 4557524

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C23H29N3O5S/c1-2-31-22-9-4-3-8-21(22)24-10-12-25(13-11-24)23(27)19-6-5-7-20(18-19)32(28,29)26-14-16-30-17-15-26/h3-9,18H,2,10-17H2,1H3
InChIKeyPRRWFKLVVOVVTI-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.07
Rot. Bonds6

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 4557524) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID4557524
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C23H29N3O5S/c1-2-31-22-9-4-3-8-21(22)24-10-12-25(13-11-24)23(27)19-6-5-7-20(18-19)32(28,29)26-14-16-30-17-15-26/h3-9,18H,2,10-17H2,1H3
InChIKeyPRRWFKLVVOVVTI-UHFFFAOYSA-N
XLogP2.07
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Mazapertine
CID 60820
1-{4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl}4-{[4-(methylsulfonyl)phenyl]carbonyl}piperazine
CID 11533362
2-[4-[4-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 10344103
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3-(Benzyl(2-methoxyphenyl)sulfamoyl)benzoic acid
CID 2396426
Sulfonamide-01
CID 11532283
N,N-Dibutyl-3-[4-(2-isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzamide
CID 11798397
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
[3-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2492468
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4522036

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone (CID 4557524) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone is CCOc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is PRRWFKLVVOVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-2-31-22-9-4-3-8-21(22)24-10-12-25(13-11-24)23(27)19-6-5-7-20(18-19)32(28,29)26-14-16-30-17-15-26/h3-9,18H,2,10-17H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 459.57 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 4557524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).