4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

C14H15N3OS — CID 5335033

IUPAC4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2cccs2)cc1
InChIInChI=1S/C14H15N3OS/c1-17(2)12-7-5-11(6-8-12)14(18)16-15-10-13-4-3-9-19-13/h3-10H,1-2H3,(H,16,18)/b15-10+
InChIKeyZJWRCXBPQHVOKE-XNTDXEJSSA-N
MW273.36 g/mol
LogP2.58
Rot. Bonds4

About 4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 5335033) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID5335033
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2cccs2)cc1
InChIInChI=1S/C14H15N3OS/c1-17(2)12-7-5-11(6-8-12)14(18)16-15-10-13-4-3-9-19-13/h3-10H,1-2H3,(H,16,18)/b15-10+
InChIKeyZJWRCXBPQHVOKE-XNTDXEJSSA-N
XLogP2.58
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.58
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

4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
4-(dimethylamino)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 44593523
3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 46496179
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 795193
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-(thiophen-2-ylmethylideneamino)-2,1,3-benzoxadiazole-5-carboxamide
CID 2823035
3-methyl-4-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4136814
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (CID 5335033) is 4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is CN(C)c1ccc(C(=O)N/N=C/c2cccs2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is ZJWRCXBPQHVOKE-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-17(2)12-7-5-11(6-8-12)14(18)16-15-10-13-4-3-9-19-13/h3-10H,1-2H3,(H,16,18)/b15-10+.
What are the key properties of 4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide has a molecular weight of 273.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 5335033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).