N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

C28H25N3O4S — CID 123515128

IUPACN-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NN=Cc2cc(-c3ccccc3)sc2-c2ccccc2)cc1OC
InChIInChI=1S/C28H25N3O4S/c1-34-23-14-13-21(15-24(23)35-2)28(33)29-18-26(32)31-30-17-22-16-25(19-9-5-3-6-10-19)36-27(22)20-11-7-4-8-12-20/h3-17H,18H2,1-2H3,(H,29,33)(H,31,32)
InChIKeyMICGXQVHXRAENJ-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.98
Rot. Bonds9

About N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 123515128) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID123515128
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC NameN-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NN=Cc2cc(-c3ccccc3)sc2-c2ccccc2)cc1OC
InChIInChI=1S/C28H25N3O4S/c1-34-23-14-13-21(15-24(23)35-2)28(33)29-18-26(32)31-30-17-22-16-25(19-9-5-3-6-10-19)36-27(22)20-11-7-4-8-12-20/h3-17H,18H2,1-2H3,(H,29,33)(H,31,32)
InChIKeyMICGXQVHXRAENJ-UHFFFAOYSA-N
XLogP4.98
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136732655
N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3986823
N-[2-[(2E)-2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;ethane
CID 144580150
N-[2-[2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3630521
3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 15945783
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6321510
N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136861906
N-[2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 135842048
N-[2-[(2E)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6881851
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 135733837
3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide
CID 123272456
N-[2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 4665883

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 123515128) is N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)NN=Cc2cc(-c3ccccc3)sc2-c2ccccc2)cc1OC.
What is the InChIKey of N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is MICGXQVHXRAENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-34-23-14-13-21(15-24(23)35-2)28(33)29-18-26(32)31-30-17-22-16-25(19-9-5-3-6-10-19)36-27(22)20-11-7-4-8-12-20/h3-17H,18H2,1-2H3,(H,29,33)(H,31,32).
What are the key properties of N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 499.59 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 123515128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).