2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide

C24H22N4O3S3 — CID 172971149

IUPAC2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide
SMILESC=Cc1ccc(/C=N/NC(=O)CSc2ccc(Sc3ccc(SCC(=O)NN=C)cc3)cc2)o1
InChIInChI=1S/C24H22N4O3S3/c1-3-17-4-5-18(31-17)14-26-28-24(30)16-33-20-8-12-22(13-9-20)34-21-10-6-19(7-11-21)32-15-23(29)27-25-2/h3-14H,1-2,15-16H2,(H,27,29)(H,28,30)/b26-14+
InChIKeyOVXGGZZEEFBCMY-VULFUBBASA-N
MW510.67 g/mol
LogP5.14
Rot. Bonds12

About 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide

2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide (PubChem CID 172971149) has the molecular formula C24H22N4O3S3 and a molecular weight of 510.67 g/mol. Its IUPAC name is 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide.

Molecular Properties

Compound Name2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide
PubChem CID172971149
Molecular FormulaC24H22N4O3S3
Molecular Weight510.67 g/mol
Exact Mass510.09
IUPAC Name2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide
SMILESC=Cc1ccc(/C=N/NC(=O)CSc2ccc(Sc3ccc(SCC(=O)NN=C)cc3)cc2)o1
InChIInChI=1S/C24H22N4O3S3/c1-3-17-4-5-18(31-17)14-26-28-24(30)16-33-20-8-12-22(13-9-20)34-21-10-6-19(7-11-21)32-15-23(29)27-25-2/h3-14H,1-2,15-16H2,(H,27,29)(H,28,30)/b26-14+
InChIKeyOVXGGZZEEFBCMY-VULFUBBASA-N
XLogP5.14
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.67
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide with MolForge

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
CID 126225088
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 9396397
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylsulfanylacetamide
CID 100801815
4-[(E)-[[2-(4-methylphenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 19208851
ethyl 4-[5-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 94831827
N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 6385994
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[5-(2,4-dichloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126218733
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 5429358
methyl 4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 1153879
2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126006396

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide?
The IUPAC name of 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide (CID 172971149) is 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide.
What is the SMILES notation for 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide?
The canonical SMILES for 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide is C=Cc1ccc(/C=N/NC(=O)CSc2ccc(Sc3ccc(SCC(=O)NN=C)cc3)cc2)o1.
What is the InChIKey of 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide?
The InChIKey is OVXGGZZEEFBCMY-VULFUBBASA-N. The full InChI is InChI=1S/C24H22N4O3S3/c1-3-17-4-5-18(31-17)14-26-28-24(30)16-33-20-8-12-22(13-9-20)34-21-10-6-19(7-11-21)32-15-23(29)27-25-2/h3-14H,1-2,15-16H2,(H,27,29)(H,28,30)/b26-14+.
What are the key properties of 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide?
2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide has a molecular weight of 510.67 g/mol, XLogP of 5.14, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[(2E)-2-[(5-ethenylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(methylideneamino)acetamide is sourced from PubChem (CID 172971149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).