2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C18H22N4O4S — CID 24565711

IUPAC2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H22N4O4S/c1-3-21(12-17(23)19-11-16-5-4-10-27-16)13-18(24)20(2)14-6-8-15(9-7-14)22(25)26/h4-10H,3,11-13H2,1-2H3,(H,19,23)
InChIKeyYBJPIASCITUVPH-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.26
Rot. Bonds9

About 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 24565711) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID24565711
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H22N4O4S/c1-3-21(12-17(23)19-11-16-5-4-10-27-16)13-18(24)20(2)14-6-8-15(9-7-14)22(25)26/h4-10H,3,11-13H2,1-2H3,(H,19,23)
InChIKeyYBJPIASCITUVPH-UHFFFAOYSA-N
XLogP2.26
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)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

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 46628779
2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8792545
2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide
CID 8800986
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905918
2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8906157
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetamide
CID 8906099
2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2424003
2-(4-chloro-N-ethyl-2-nitroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 9113455
2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8960861
2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 9113458
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 111487300

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 24565711) is 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YBJPIASCITUVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-3-21(12-17(23)19-11-16-5-4-10-27-16)13-18(24)20(2)14-6-8-15(9-7-14)22(25)26/h4-10H,3,11-13H2,1-2H3,(H,19,23).
What are the key properties of 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 390.47 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 24565711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).