2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide

C16H19N3OS — CID 9143872

IUPAC2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc(C)s1
InChIInChI=1S/C16H19N3OS/c1-11-4-7-14(8-5-11)17-10-16(20)19-18-13(3)15-9-6-12(2)21-15/h4-9,17H,10H2,1-3H3,(H,19,20)/b18-13-
InChIKeyAUPPVZDKGYJOBF-AQTBWJFISA-N
MW301.42 g/mol
LogP3.32
Rot. Bonds5

About 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide

2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide (PubChem CID 9143872) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide
PubChem CID9143872
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc(C)s1
InChIInChI=1S/C16H19N3OS/c1-11-4-7-14(8-5-11)17-10-16(20)19-18-13(3)15-9-6-12(2)21-15/h4-9,17H,10H2,1-3H3,(H,19,20)/b18-13-
InChIKeyAUPPVZDKGYJOBF-AQTBWJFISA-N
XLogP3.32
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
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'}

Analyze 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide
CID 21157533
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 16553710
2-(4-ethoxyanilino)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5421665
N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
CID 5092659
2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide
CID 46177792
2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 5096046
4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826
5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide
CID 841194
2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035669
5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3448356
ethane;1-(4-methylanilino)propan-2-one
CID 143614458

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide (CID 9143872) is 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide is C/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc(C)s1.
What is the InChIKey of 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide?
The InChIKey is AUPPVZDKGYJOBF-AQTBWJFISA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-4-7-14(8-5-11)17-10-16(20)19-18-13(3)15-9-6-12(2)21-15/h4-9,17H,10H2,1-3H3,(H,19,20)/b18-13-.
What are the key properties of 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide?
2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide has a molecular weight of 301.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 9143872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).