(2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide

C15H15ClN2O2S — CID 1229715

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide
SMILESCc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H15ClN2O2S/c1-10-3-8-14(21-10)9-17-18-15(19)11(2)20-13-6-4-12(16)5-7-13/h3-9,11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyUOOWJIFFARTSAC-NSHDSACASA-N
MW322.82 g/mol
LogP3.63
Rot. Bonds5

About (2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide

(2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide (PubChem CID 1229715) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide
PubChem CID1229715
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide
SMILESCc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H15ClN2O2S/c1-10-3-8-14(21-10)9-17-18-15(19)11(2)20-13-6-4-12(16)5-7-13/h3-9,11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyUOOWJIFFARTSAC-NSHDSACASA-N
XLogP3.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.63
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

N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939947
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 689244
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 706908
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 5396013
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1239974
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 136766938

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide (CID 1229715) is (2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide is Cc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide?
The InChIKey is UOOWJIFFARTSAC-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-3-8-14(21-10)9-17-18-15(19)11(2)20-13-6-4-12(16)5-7-13/h3-9,11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide has a molecular weight of 322.82 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide is sourced from PubChem (CID 1229715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).