4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide

C20H18N2OS2 — CID 95180952

IUPAC4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(CSc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C20H18N2OS2/c1-15(19-8-5-13-24-19)21-22-20(23)17-11-9-16(10-12-17)14-25-18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,22,23)/b21-15-
InChIKeyOSISXGQCCKZXJI-QNGOZBTKSA-N
MW366.51 g/mol
LogP5.19
Rot. Bonds6

About 4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide

4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide (PubChem CID 95180952) has the molecular formula C20H18N2OS2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
PubChem CID95180952
Molecular FormulaC20H18N2OS2
Molecular Weight366.51 g/mol
Exact Mass366.09
IUPAC Name4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(CSc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C20H18N2OS2/c1-15(19-8-5-13-24-19)21-22-20(23)17-11-9-16(10-12-17)14-25-18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,22,23)/b21-15-
InChIKeyOSISXGQCCKZXJI-QNGOZBTKSA-N
XLogP5.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.19
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

3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 3828723
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 137172349
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(4-iodophenyl)ethylideneamino]benzamide
CID 124544511
2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 6392890
2,2-diphenyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 969030

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The IUPAC name of 4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide (CID 95180952) is 4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide.
What is the SMILES notation for 4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The canonical SMILES for 4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(CSc2ccccc2)cc1)c1cccs1.
What is the InChIKey of 4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The InChIKey is OSISXGQCCKZXJI-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H18N2OS2/c1-15(19-8-5-13-24-19)21-22-20(23)17-11-9-16(10-12-17)14-25-18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,22,23)/b21-15-.
What are the key properties of 4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide has a molecular weight of 366.51 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide is sourced from PubChem (CID 95180952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).