3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide

C18H18N4O4S — CID 123272456

IUPAC3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NN=Cc2csc3cc[nH]c23)cc1OC
InChIInChI=1S/C18H18N4O4S/c1-25-13-4-3-11(7-14(13)26-2)18(24)20-9-16(23)22-21-8-12-10-27-15-5-6-19-17(12)15/h3-8,10,19H,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyNTXFORHTJZUNOU-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.13
Rot. Bonds7

About 3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide

3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide (PubChem CID 123272456) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide
PubChem CID123272456
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NN=Cc2csc3cc[nH]c23)cc1OC
InChIInChI=1S/C18H18N4O4S/c1-25-13-4-3-11(7-14(13)26-2)18(24)20-9-16(23)22-21-8-12-10-27-15-5-6-19-17(12)15/h3-8,10,19H,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyNTXFORHTJZUNOU-UHFFFAOYSA-N
XLogP2.13
TPSA104.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.13
H-Bond Donors ≤ 53
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-[(2E)-2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;ethane
CID 144580150
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-[(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-[2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3630521
N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 123515128
4-fluoro-N-[2-oxo-2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3714352
N-[2-[(2E)-2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
CID 73332611
N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-6-methoxynaphthalene-2-carboxamide
CID 123382961
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6321510
N-[2-[2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3946161

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide (CID 123272456) is 3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide is COc1ccc(C(=O)NCC(=O)NN=Cc2csc3cc[nH]c23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is NTXFORHTJZUNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-25-13-4-3-11(7-14(13)26-2)18(24)20-9-16(23)22-21-8-12-10-27-15-5-6-19-17(12)15/h3-8,10,19H,9H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 386.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-oxo-2-[2-(4H-thieno[3,2-b]pyrrol-3-ylmethylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 123272456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).