N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide

C24H27ClN2O2S — CID 3567605

IUPACN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C24H27ClN2O2S/c1-16-14-19(25)11-12-21(16)29-13-5-6-22(28)27-23-26-20(15-30-23)17-7-9-18(10-8-17)24(2,3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,27,28)
InChIKeyZPIUCQIUORGPEO-UHFFFAOYSA-N
MW443.01 g/mol
LogP6.87
Rot. Bonds7

About N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide (PubChem CID 3567605) has the molecular formula C24H27ClN2O2S and a molecular weight of 443.01 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide
PubChem CID3567605
Molecular FormulaC24H27ClN2O2S
Molecular Weight443.01 g/mol
Exact Mass442.15
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C24H27ClN2O2S/c1-16-14-19(25)11-12-21(16)29-13-5-6-22(28)27-23-26-20(15-30-23)17-7-9-18(10-8-17)24(2,3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,27,28)
InChIKeyZPIUCQIUORGPEO-UHFFFAOYSA-N
XLogP6.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.01
LogP ≤ 56.87
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

N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide
CID 24570808
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4643294
4-(2,4-dichlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19183987
4-(4-chloro-3-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19191298
2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173202
2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 4784997
2-(4-chloro-2-methylphenoxy)-N-[4-(3-ethyl-4-heptoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 110171562
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196879
4-(2-bromo-4-tert-butylphenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19202859
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
4-(2-bromo-4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 19228715

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide (CID 3567605) is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide is Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide?
The InChIKey is ZPIUCQIUORGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2S/c1-16-14-19(25)11-12-21(16)29-13-5-6-22(28)27-23-26-20(15-30-23)17-7-9-18(10-8-17)24(2,3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,27,28).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide?
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide has a molecular weight of 443.01 g/mol, XLogP of 6.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide is sourced from PubChem (CID 3567605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).