2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide

C19H23ClN2O2S — CID 40610904

IUPAC2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide
SMILESCCCNC(=O)c1ccsc1N=Cc1cc(Cl)ccc1OCC(C)C
InChIInChI=1S/C19H23ClN2O2S/c1-4-8-21-18(23)16-7-9-25-19(16)22-11-14-10-15(20)5-6-17(14)24-12-13(2)3/h5-7,9-11,13H,4,8,12H2,1-3H3,(H,21,23)
InChIKeyLYAUPEWPXJPEKB-UHFFFAOYSA-N
MW378.93 g/mol
LogP5.33
Rot. Bonds8

About 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide

2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide (PubChem CID 40610904) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide
PubChem CID40610904
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide
SMILESCCCNC(=O)c1ccsc1N=Cc1cc(Cl)ccc1OCC(C)C
InChIInChI=1S/C19H23ClN2O2S/c1-4-8-21-18(23)16-7-9-25-19(16)22-11-14-10-15(20)5-6-17(14)24-12-13(2)3/h5-7,9-11,13H,4,8,12H2,1-3H3,(H,21,23)
InChIKeyLYAUPEWPXJPEKB-UHFFFAOYSA-N
XLogP5.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide
CID 17371873
N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide
CID 40609551
2-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(4-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17371877
2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide
CID 40619113
2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 17371882
methyl (2E)-2-[(2Z)-2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172925710
[4-[5-chloro-2-(2-methylpropoxy)benzoyl]piperazin-1-yl]-[5-chloro-2-(2-methylpropoxy)phenyl]methanone
CID 51059993
[4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate
CID 54338352
3-chloro-N-[1-[(2Z)-2-[(5-chloro-2-propoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 6179233
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17050842
(E)-3-[5-chloro-2-[2-oxo-2-(propylamino)ethoxy]phenyl]prop-2-enoic acid
CID 43142029

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide?
The IUPAC name of 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide (CID 40610904) is 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide?
The canonical SMILES for 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide is CCCNC(=O)c1ccsc1N=Cc1cc(Cl)ccc1OCC(C)C.
What is the InChIKey of 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide?
The InChIKey is LYAUPEWPXJPEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-4-8-21-18(23)16-7-9-25-19(16)22-11-14-10-15(20)5-6-17(14)24-12-13(2)3/h5-7,9-11,13H,4,8,12H2,1-3H3,(H,21,23).
What are the key properties of 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide?
2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide has a molecular weight of 378.93 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide is sourced from PubChem (CID 40610904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).