N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide

C18H20N4O7S — CID 4169961

IUPACN-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(OC)c(C=NNC(=O)C(C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H20N4O7S/c1-12(21-30(26,27)16-7-4-14(5-8-16)22(24)25)18(23)20-19-11-13-10-15(28-2)6-9-17(13)29-3/h4-12,21H,1-3H3,(H,20,23)
InChIKeyCJDJTOIZODEOCX-UHFFFAOYSA-N
MW436.45 g/mol
LogP1.43
Rot. Bonds9

About N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide

N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide (PubChem CID 4169961) has the molecular formula C18H20N4O7S and a molecular weight of 436.45 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide
PubChem CID4169961
Molecular FormulaC18H20N4O7S
Molecular Weight436.45 g/mol
Exact Mass436.11
IUPAC NameN-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(OC)c(C=NNC(=O)C(C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H20N4O7S/c1-12(21-30(26,27)16-7-4-14(5-8-16)22(24)25)18(23)20-19-11-13-10-15(28-2)6-9-17(13)29-3/h4-12,21H,1-3H3,(H,20,23)
InChIKeyCJDJTOIZODEOCX-UHFFFAOYSA-N
XLogP1.43
TPSA149.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methylbutanamide
CID 7034036
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3949968
N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5431266
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 4050443
N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide
CID 3406373
N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide
CID 3650874
N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-4-methylbenzenecarbothioamide
CID 94845840
[(2-methoxy-5-nitrophenyl)methylideneamino]thiourea
CID 57359197
(2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide
CID 26642114

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide (CID 4169961) is N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide is COc1ccc(OC)c(C=NNC(=O)C(C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is CJDJTOIZODEOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O7S/c1-12(21-30(26,27)16-7-4-14(5-8-16)22(24)25)18(23)20-19-11-13-10-15(28-2)6-9-17(13)29-3/h4-12,21H,1-3H3,(H,20,23).
What are the key properties of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide?
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 436.45 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4169961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).