4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide

C16H19N3OS — CID 6152424

IUPAC4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)s1
InChIInChI=1S/C16H19N3OS/c1-11-5-10-15(21-11)12(2)17-18-16(20)13-6-8-14(9-7-13)19(3)4/h5-10H,1-4H3,(H,18,20)/b17-12+
InChIKeyBTRIRWJWHZRSJA-SFQUDFHCSA-N
MW301.42 g/mol
LogP3.28
Rot. Bonds4

About 4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide

4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide (PubChem CID 6152424) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
PubChem CID6152424
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)s1
InChIInChI=1S/C16H19N3OS/c1-11-5-10-15(21-11)12(2)17-18-16(20)13-6-8-14(9-7-13)19(3)4/h5-10H,1-4H3,(H,18,20)/b17-12+
InChIKeyBTRIRWJWHZRSJA-SFQUDFHCSA-N
XLogP3.28
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.28
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-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826
5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3448356
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 5096046
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
CID 6306205
N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
CID 5092659
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methylthiophene-2-carboxamide
CID 5412074
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788
3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide
CID 9154377
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 135858074

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide (CID 6152424) is 4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)s1.
What is the InChIKey of 4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
The InChIKey is BTRIRWJWHZRSJA-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-5-10-15(21-11)12(2)17-18-16(20)13-6-8-14(9-7-13)19(3)4/h5-10H,1-4H3,(H,18,20)/b17-12+.
What are the key properties of 4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide has a molecular weight of 301.42 g/mol, XLogP of 3.28, 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)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 6152424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).