N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide

C22H24N2O2S — CID 110645468

IUPACN-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C22H24N2O2S/c25-21(12-7-15-26-19-10-5-2-6-11-19)23-14-13-22-24-17-20(27-22)16-18-8-3-1-4-9-18/h1-6,8-11,17H,7,12-16H2,(H,23,25)
InChIKeyKCAUKBJHIARUOO-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.25
Rot. Bonds10

About N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide

N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide (PubChem CID 110645468) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide
PubChem CID110645468
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C22H24N2O2S/c25-21(12-7-15-26-19-10-5-2-6-11-19)23-14-13-22-24-17-20(27-22)16-18-8-3-1-4-9-18/h1-6,8-11,17H,7,12-16H2,(H,23,25)
InChIKeyKCAUKBJHIARUOO-UHFFFAOYSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.25
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-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
CID 110645143
1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea
CID 110645469
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
CID 110645117
1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 110645471
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide
CID 110294448
N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide
CID 110398327
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide (CID 110645468) is N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCCc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide?
The InChIKey is KCAUKBJHIARUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c25-21(12-7-15-26-19-10-5-2-6-11-19)23-14-13-22-24-17-20(27-22)16-18-8-3-1-4-9-18/h1-6,8-11,17H,7,12-16H2,(H,23,25).
What are the key properties of N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide?
N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide has a molecular weight of 380.51 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 110645468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).