N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C16H18N4O2S — CID 6869036

IUPACN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N4O2S/c1-20(2)13-7-5-12(6-8-13)10-18-19-15(21)11-17-16(22)14-4-3-9-23-14/h3-10H,11H2,1-2H3,(H,17,22)(H,19,21)/b18-10+
InChIKeyWQEQTKHKRQRUKL-VCHYOVAHSA-N
MW330.41 g/mol
LogP1.69
Rot. Bonds6

About N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 6869036) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID6869036
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N4O2S/c1-20(2)13-7-5-12(6-8-13)10-18-19-15(21)11-17-16(22)14-4-3-9-23-14/h3-10H,11H2,1-2H3,(H,17,22)(H,19,21)/b18-10+
InChIKeyWQEQTKHKRQRUKL-VCHYOVAHSA-N
XLogP1.69
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 1215797
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 5402047
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
[4-[[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 5191656
[4-[(Z)-[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6293341
N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
CID 2847033
N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 3351357
2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 41092525
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 6869036) is N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WQEQTKHKRQRUKL-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-20(2)13-7-5-12(6-8-13)10-18-19-15(21)11-17-16(22)14-4-3-9-23-14/h3-10H,11H2,1-2H3,(H,17,22)(H,19,21)/b18-10+.
What are the key properties of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 6869036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).