2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide

C15H17N3O2S — CID 5003080

IUPAC2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide
SMILESCOc1ccccc1NC(C)C(=O)NN=Cc1cccs1
InChIInChI=1S/C15H17N3O2S/c1-11(17-13-7-3-4-8-14(13)20-2)15(19)18-16-10-12-6-5-9-21-12/h3-11,17H,1-2H3,(H,18,19)
InChIKeyOKMHHYAVJDRSPC-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.71
Rot. Bonds6

About 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide

2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide (PubChem CID 5003080) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide
PubChem CID5003080
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide
SMILESCOc1ccccc1NC(C)C(=O)NN=Cc1cccs1
InChIInChI=1S/C15H17N3O2S/c1-11(17-13-7-3-4-8-14(13)20-2)15(19)18-16-10-12-6-5-9-21-12/h3-11,17H,1-2H3,(H,18,19)
InChIKeyOKMHHYAVJDRSPC-UHFFFAOYSA-N
XLogP2.71
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.71
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'}

Analyze 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide 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-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
CID 5212708
(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136851890
2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 71960236
(2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide
CID 40507856
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 135683629
(2S)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136790489
(2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
CID 5396029
(2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 39819226
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 71947279
3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 6911550
(2R)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 124834516
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 12005344

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide (CID 5003080) is 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide is COc1ccccc1NC(C)C(=O)NN=Cc1cccs1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide?
The InChIKey is OKMHHYAVJDRSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11(17-13-7-3-4-8-14(13)20-2)15(19)18-16-10-12-6-5-9-21-12/h3-11,17H,1-2H3,(H,18,19).
What are the key properties of 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide?
2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide has a molecular weight of 303.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide is sourced from PubChem (CID 5003080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).