N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C20H22BrN3O4S — CID 2351057

IUPACN-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1ccccc1Br
InChIInChI=1S/C20H22BrN3O4S/c21-19-4-2-1-3-17(19)15-22-23-20(25)10-7-16-5-8-18(9-6-16)29(26,27)24-11-13-28-14-12-24/h1-6,8-9,15H,7,10-14H2,(H,23,25)
InChIKeyYUQGJDXQEIIDND-UHFFFAOYSA-N
MW480.38 g/mol
LogP2.55
Rot. Bonds7

About N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2351057) has the molecular formula C20H22BrN3O4S and a molecular weight of 480.38 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2351057
Molecular FormulaC20H22BrN3O4S
Molecular Weight480.38 g/mol
Exact Mass479.05
IUPAC NameN-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1ccccc1Br
InChIInChI=1S/C20H22BrN3O4S/c21-19-4-2-1-3-17(19)15-22-23-20(25)10-7-16-5-8-18(9-6-16)29(26,27)24-11-13-28-14-12-24/h1-6,8-9,15H,7,10-14H2,(H,23,25)
InChIKeyYUQGJDXQEIIDND-UHFFFAOYSA-N
XLogP2.55
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991439
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-(2-nitrophenyl)methylideneamino]propanamide
CID 42991453
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991466
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
CID 42991437
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide
CID 6219763
N-[(3,4-dichlorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2642036
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991463
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-(4-bromo-2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26239683

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2351057) is N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is YUQGJDXQEIIDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O4S/c21-19-4-2-1-3-17(19)15-22-23-20(25)10-7-16-5-8-18(9-6-16)29(26,27)24-11-13-28-14-12-24/h1-6,8-9,15H,7,10-14H2,(H,23,25).
What are the key properties of N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 480.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2351057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).