2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide

C16H17ClN2O2S — CID 5122020

IUPAC2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide
SMILESCC(=NNC(=O)C(C)Oc1ccc(Cl)cc1C)c1cccs1
InChIInChI=1S/C16H17ClN2O2S/c1-10-9-13(17)6-7-14(10)21-12(3)16(20)19-18-11(2)15-5-4-8-22-15/h4-9,12H,1-3H3,(H,19,20)
InChIKeyBJLZAODHCMDQSD-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.02
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide

2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide (PubChem CID 5122020) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide
PubChem CID5122020
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide
SMILESCC(=NNC(=O)C(C)Oc1ccc(Cl)cc1C)c1cccs1
InChIInChI=1S/C16H17ClN2O2S/c1-10-9-13(17)6-7-14(10)21-12(3)16(20)19-18-11(2)15-5-4-8-22-15/h4-9,12H,1-3H3,(H,19,20)
InChIKeyBJLZAODHCMDQSD-UHFFFAOYSA-N
XLogP4.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.02
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

2-(4-chloro-2-methylphenoxy)-N-[1-(2-chlorophenyl)ethylideneamino]propanamide
CID 3390414
2-(4-chloro-2-methylphenoxy)-N-(3-methylbutan-2-ylideneamino)propanamide
CID 4165286
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3534165
N-[1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4527145
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide
CID 4139864
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3405281
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate
CID 4928280
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide (CID 5122020) is 2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide is CC(=NNC(=O)C(C)Oc1ccc(Cl)cc1C)c1cccs1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide?
The InChIKey is BJLZAODHCMDQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-10-9-13(17)6-7-14(10)21-12(3)16(20)19-18-11(2)15-5-4-8-22-15/h4-9,12H,1-3H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide has a molecular weight of 336.84 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide is sourced from PubChem (CID 5122020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).