4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide

C20H19ClN2O3S — CID 19197145

IUPAC4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCOc1cccc(-c2csc(NC(=O)CCCOc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C20H19ClN2O3S/c1-25-17-5-2-4-14(12-17)18-13-27-20(22-18)23-19(24)6-3-11-26-16-9-7-15(21)8-10-16/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,23,24)
InChIKeyZDOGYEPREHOPGZ-UHFFFAOYSA-N
MW402.90 g/mol
LogP5.27
Rot. Bonds8

About 4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide

4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 19197145) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID19197145
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCOc1cccc(-c2csc(NC(=O)CCCOc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C20H19ClN2O3S/c1-25-17-5-2-4-14(12-17)18-13-27-20(22-18)23-19(24)6-3-11-26-16-9-7-15(21)8-10-16/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,23,24)
InChIKeyZDOGYEPREHOPGZ-UHFFFAOYSA-N
XLogP5.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.90
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197128
4-(4-chlorophenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 19184062
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 16562191
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
4-(4-chloro-3-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19191298
4-(2-bromo-4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19203178
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
3-(4-chlorophenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4674865
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86578418
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide (CID 19197145) is 4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide is COc1cccc(-c2csc(NC(=O)CCCOc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is ZDOGYEPREHOPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-25-17-5-2-4-14(12-17)18-13-27-20(22-18)23-19(24)6-3-11-26-16-9-7-15(21)8-10-16/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,23,24).
What are the key properties of 4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 402.90 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 19197145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).