N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline

C25H26N4O5S — CID 4073107

IUPACN-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)Cc2ccccc2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C25H26N4O5S/c30-29(31)23-11-12-24(25(19-23)35(32,33)28-13-15-34-16-14-28)27-26-22(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-12,19,27H,13-18H2
InChIKeyOAKFJARGIVLFOD-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.87
Rot. Bonds9

About N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline

N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline (PubChem CID 4073107) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
PubChem CID4073107
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC NameN-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)Cc2ccccc2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C25H26N4O5S/c30-29(31)23-11-12-24(25(19-23)35(32,33)28-13-15-34-16-14-28)27-26-22(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-12,19,27H,13-18H2
InChIKeyOAKFJARGIVLFOD-UHFFFAOYSA-N
XLogP3.87
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-ylsulfonyl-4-nitro-N-(3-phenylpropyl)aniline
CID 3135567
N-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460
N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3250770
2-[(E)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135678967
2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6045628
2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline
CID 4239689
2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
CID 3910260
N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3633570
N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3320010
N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5125969
N-[(1R)-2-methyl-1-phenylpropyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 25386671
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3263579

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline (CID 4073107) is N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline.
What is the SMILES notation for N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The canonical SMILES for N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline is O=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)Cc2ccccc2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The InChIKey is OAKFJARGIVLFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c30-29(31)23-11-12-24(25(19-23)35(32,33)28-13-15-34-16-14-28)27-26-22(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-12,19,27H,13-18H2.
What are the key properties of N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline has a molecular weight of 494.57 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline is sourced from PubChem (CID 4073107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).