N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide

C18H22N4O2S — CID 164880540

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(S(N)=O)cc2)cc1
InChIInChI=1S/C18H22N4O2S/c1-3-22(4-2)16-9-5-14(6-10-16)13-20-21-18(23)15-7-11-17(12-8-15)25(19)24/h5-13H,3-4,19H2,1-2H3,(H,21,23)/b20-13+
InChIKeyNOOYHMOSGMNELO-DEDYPNTBSA-N
MW358.47 g/mol
LogP2.28
Rot. Bonds7

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide (PubChem CID 164880540) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide
PubChem CID164880540
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(S(N)=O)cc2)cc1
InChIInChI=1S/C18H22N4O2S/c1-3-22(4-2)16-9-5-14(6-10-16)13-20-21-18(23)15-7-11-17(12-8-15)25(19)24/h5-13H,3-4,19H2,1-2H3,(H,21,23)/b20-13+
InChIKeyNOOYHMOSGMNELO-DEDYPNTBSA-N
XLogP2.28
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647545
N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 2330939

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide (CID 164880540) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(S(N)=O)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide?
The InChIKey is NOOYHMOSGMNELO-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-3-22(4-2)16-9-5-14(6-10-16)13-20-21-18(23)15-7-11-17(12-8-15)25(19)24/h5-13H,3-4,19H2,1-2H3,(H,21,23)/b20-13+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide has a molecular weight of 358.47 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide is sourced from PubChem (CID 164880540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).