N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide

C22H27N5O6S — CID 4238855

IUPACN-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H27N5O6S/c28-22(23-18-5-7-19(8-6-18)25-13-15-33-16-14-25)17-24-9-11-26(12-10-24)34(31,32)21-4-2-1-3-20(21)27(29)30/h1-8H,9-17H2,(H,23,28)
InChIKeyZSELVHYRWODICY-UHFFFAOYSA-N
MW489.55 g/mol
LogP1.38
Rot. Bonds7

About N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide

N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 4238855) has the molecular formula C22H27N5O6S and a molecular weight of 489.55 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID4238855
Molecular FormulaC22H27N5O6S
Molecular Weight489.55 g/mol
Exact Mass489.17
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H27N5O6S/c28-22(23-18-5-7-19(8-6-18)25-13-15-33-16-14-25)17-24-9-11-26(12-10-24)34(31,32)21-4-2-1-3-20(21)27(29)30/h1-8H,9-17H2,(H,23,28)
InChIKeyZSELVHYRWODICY-UHFFFAOYSA-N
XLogP1.38
TPSA125.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-Ethylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine
CID 558538
N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-phenyloxamide
CID 2883755
4-{[2-(4-Methyl-1-piperazinyl)-5-nitrophenyl]sulfonyl}morpholine
CID 2920401
N-[4-[4-[3-(2-morpholin-4-ylethylamino)-4-nitrophenyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2941238
N-(4-Morpholin-4-yl-phenyl)-2-nitrobenzenesulfonamide
CID 1118418
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456
N-(4-{[4-(2-morpholino-2-oxoethyl)piperazino]sulfonyl}phenyl)acetamide
CID 2815598
N-[2-(4-morpholinyl)ethyl]-2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]aniline
CID 2919661
N~1~-[4-(acetylamino)phenyl]-N~2~-(4-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2943499
N-(2-methylsulfanylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3912824
1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 4020182
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide (CID 4238855) is N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is ZSELVHYRWODICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O6S/c28-22(23-18-5-7-19(8-6-18)25-13-15-33-16-14-25)17-24-9-11-26(12-10-24)34(31,32)21-4-2-1-3-20(21)27(29)30/h1-8H,9-17H2,(H,23,28).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 489.55 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 4238855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).