4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide

C22H23ClN2O2S — CID 108749716

IUPAC4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CCCOc3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C22H23ClN2O2S/c1-16-25-21(15-28-16)18-6-4-17(5-7-18)12-13-24-22(26)3-2-14-27-20-10-8-19(23)9-11-20/h4-11,15H,2-3,12-14H2,1H3,(H,24,26)
InChIKeyVEMATPHPSZXJFQ-UHFFFAOYSA-N
MW414.96 g/mol
LogP5.29
Rot. Bonds9

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

4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide (PubChem CID 108749716) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
PubChem CID108749716
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC Name4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CCCOc3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C22H23ClN2O2S/c1-16-25-21(15-28-16)18-6-4-17(5-7-18)12-13-24-22(26)3-2-14-27-20-10-8-19(23)9-11-20/h4-11,15H,2-3,12-14H2,1H3,(H,24,26)
InChIKeyVEMATPHPSZXJFQ-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.96
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837231
4-(4-bromo-2-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 108749707
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
2,2-dimethyl-N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-4-oxobutyl]propanamide
CID 51338645
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
3-[butyl(methyl)amino]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108725486
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide (CID 108749716) is 4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide is Cc1nc(-c2ccc(CCNC(=O)CCCOc3ccc(Cl)cc3)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
The InChIKey is VEMATPHPSZXJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-16-25-21(15-28-16)18-6-4-17(5-7-18)12-13-24-22(26)3-2-14-27-20-10-8-19(23)9-11-20/h4-11,15H,2-3,12-14H2,1H3,(H,24,26).
What are the key properties of 4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide has a molecular weight of 414.96 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 108749716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).