N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide

C19H28ClN5O6S — CID 55601018

IUPACN-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide
SMILESCC1CN(S(=O)(=O)N2CCN(C(C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC(C)O1
InChIInChI=1S/C19H28ClN5O6S/c1-13-11-24(12-14(2)31-13)32(29,30)23-8-6-22(7-9-23)15(3)19(26)21-18-5-4-16(25(27)28)10-17(18)20/h4-5,10,13-15H,6-9,11-12H2,1-3H3,(H,21,26)
InChIKeyMVWPOXGSTTYZJG-UHFFFAOYSA-N
MW489.98 g/mol
LogP1.55
Rot. Bonds6

About N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide

N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 55601018) has the molecular formula C19H28ClN5O6S and a molecular weight of 489.98 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide
PubChem CID55601018
Molecular FormulaC19H28ClN5O6S
Molecular Weight489.98 g/mol
Exact Mass489.14
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide
SMILESCC1CN(S(=O)(=O)N2CCN(C(C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC(C)O1
InChIInChI=1S/C19H28ClN5O6S/c1-13-11-24(12-14(2)31-13)32(29,30)23-8-6-22(7-9-23)15(3)19(26)21-18-5-4-16(25(27)28)10-17(18)20/h4-5,10,13-15H,6-9,11-12H2,1-3H3,(H,21,26)
InChIKeyMVWPOXGSTTYZJG-UHFFFAOYSA-N
XLogP1.55
TPSA125.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 46801980
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-nitrophenyl)propanamide
CID 25401165
N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 42931721
(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 41331845
N-(2,5-dichlorophenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46801147
(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 2120035
N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 55470406
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 51938844
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide (CID 55601018) is N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide is CC1CN(S(=O)(=O)N2CCN(C(C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC(C)O1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is MVWPOXGSTTYZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5O6S/c1-13-11-24(12-14(2)31-13)32(29,30)23-8-6-22(7-9-23)15(3)19(26)21-18-5-4-16(25(27)28)10-17(18)20/h4-5,10,13-15H,6-9,11-12H2,1-3H3,(H,21,26).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide?
N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 489.98 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 55601018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).