2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide

C21H18N2OS2 — CID 4267324

IUPAC2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccsc1C=NNC(=O)CSC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H18N2OS2/c1-14-10-11-25-19(14)12-22-23-20(24)13-26-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-12,21H,13H2,1H3,(H,23,24)
InChIKeyDBBWHLRMZMKRJU-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.01
Rot. Bonds5

About 2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide

2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 4267324) has the molecular formula C21H18N2OS2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID4267324
Molecular FormulaC21H18N2OS2
Molecular Weight378.52 g/mol
Exact Mass378.09
IUPAC Name2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccsc1C=NNC(=O)CSC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H18N2OS2/c1-14-10-11-25-19(14)12-22-23-20(24)13-26-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-12,21H,13H2,1H3,(H,23,24)
InChIKeyDBBWHLRMZMKRJU-UHFFFAOYSA-N
XLogP5.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.01
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,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
2-(9H-fluoren-9-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide
CID 3730006
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
CID 3898418
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
CID 6873587
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 9121577
N-[2-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948582
N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
CID 3633291
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 6864267
2-(2,6-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 909241
2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide
CID 6280531
2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 2594807

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide (CID 4267324) is 2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide is Cc1ccsc1C=NNC(=O)CSC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is DBBWHLRMZMKRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS2/c1-14-10-11-25-19(14)12-22-23-20(24)13-26-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-12,21H,13H2,1H3,(H,23,24).
What are the key properties of 2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 378.52 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 4267324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).