N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide

C26H27N3OS — CID 3898418

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H27N3OS/c1-3-29(4-2)20-15-13-19(14-16-20)17-27-28-25(30)18-31-26-23-11-7-5-9-21(23)22-10-6-8-12-24(22)26/h5-17,26H,3-4,18H2,1-2H3,(H,28,30)
InChIKeyMHCDOQKNOACMSM-UHFFFAOYSA-N
MW429.59 g/mol
LogP5.49
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide

N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide (PubChem CID 3898418) has the molecular formula C26H27N3OS and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
PubChem CID3898418
Molecular FormulaC26H27N3OS
Molecular Weight429.59 g/mol
Exact Mass429.19
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H27N3OS/c1-3-29(4-2)20-15-13-19(14-16-20)17-27-28-25(30)18-31-26-23-11-7-5-9-21(23)22-10-6-8-12-24(22)26/h5-17,26H,3-4,18H2,1-2H3,(H,28,30)
InChIKeyMHCDOQKNOACMSM-UHFFFAOYSA-N
XLogP5.49
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 55.49
H-Bond Donors ≤ 51
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

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5400523
2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 4267324
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
CID 824175
[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54599008
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6066854
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 170856208
ethyl 4-[5-[[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 3757485

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide (CID 3898418) is N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide is CCN(CC)c1ccc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide?
The InChIKey is MHCDOQKNOACMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3OS/c1-3-29(4-2)20-15-13-19(14-16-20)17-27-28-25(30)18-31-26-23-11-7-5-9-21(23)22-10-6-8-12-24(22)26/h5-17,26H,3-4,18H2,1-2H3,(H,28,30).
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide?
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide is sourced from PubChem (CID 3898418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).