N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide

C24H32N4O7S2 — CID 44961219

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C24H32N4O7S2/c1-34-22-6-4-21(5-7-22)26-11-13-27(14-12-26)36(30,31)19-10-25-24(29)20-2-8-23(9-3-20)37(32,33)28-15-17-35-18-16-28/h2-9H,10-19H2,1H3,(H,25,29)
InChIKeyPLOIIEJHSVWJKV-UHFFFAOYSA-N
MW552.68 g/mol
LogP0.60
Rot. Bonds9

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 44961219) has the molecular formula C24H32N4O7S2 and a molecular weight of 552.68 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID44961219
Molecular FormulaC24H32N4O7S2
Molecular Weight552.68 g/mol
Exact Mass552.17
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C24H32N4O7S2/c1-34-22-6-4-21(5-7-22)26-11-13-27(14-12-26)36(30,31)19-10-25-24(29)20-2-8-23(9-3-20)37(32,33)28-15-17-35-18-16-28/h2-9H,10-19H2,1H3,(H,25,29)
InChIKeyPLOIIEJHSVWJKV-UHFFFAOYSA-N
XLogP0.60
TPSA125.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.68
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1,3-benzodioxole-5-carboxamide
CID 18582856
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 34999302
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680327
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527597
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide
CID 7618148
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 44961219) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide is COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PLOIIEJHSVWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O7S2/c1-34-22-6-4-21(5-7-22)26-11-13-27(14-12-26)36(30,31)19-10-25-24(29)20-2-8-23(9-3-20)37(32,33)28-15-17-35-18-16-28/h2-9H,10-19H2,1H3,(H,25,29).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 552.68 g/mol, XLogP of 0.60, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 44961219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).