4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide

C21H21N3O2S — CID 171835852

IUPAC4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide
SMILESCC(=O)NCCCC(=O)Nc1ccc(-c2ncc(-c3ccccc3)s2)cc1
InChIInChI=1S/C21H21N3O2S/c1-15(25)22-13-5-8-20(26)24-18-11-9-17(10-12-18)21-23-14-19(27-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,25)(H,24,26)
InChIKeyUDFQFYRFRKIUJR-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.33
Rot. Bonds7

About 4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide

4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide (PubChem CID 171835852) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide
PubChem CID171835852
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide
SMILESCC(=O)NCCCC(=O)Nc1ccc(-c2ncc(-c3ccccc3)s2)cc1
InChIInChI=1S/C21H21N3O2S/c1-15(25)22-13-5-8-20(26)24-18-11-9-17(10-12-18)21-23-14-19(27-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,25)(H,24,26)
InChIKeyUDFQFYRFRKIUJR-UHFFFAOYSA-N
XLogP4.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 35626405
4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 171835735
3-acetamido-N-phenylpropanamide
CID 7946185
N-(4-benzoylphenyl)-4-(2-methylprop-2-enoylamino)butanamide
CID 141452779
N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide
CID 121062141
4-hydroxy-N-(4-phenylphenyl)butanamide
CID 79192454
N-[2-(4-phenylanilino)ethyl]acetamide
CID 103604100
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(1-hydroxy-2-methylpropyl)amino]butanamide
CID 174362978
(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamidobenzoate
CID 78760953
4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 94124993
6-[dihydroxy(methyl)silyl]-N-phenylhexanamide
CID 11565230
4-bromo-N-(4-phenylphenyl)butanamide
CID 45379211

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide?
The IUPAC name of 4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide (CID 171835852) is 4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide?
The canonical SMILES for 4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide is CC(=O)NCCCC(=O)Nc1ccc(-c2ncc(-c3ccccc3)s2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide?
The InChIKey is UDFQFYRFRKIUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-15(25)22-13-5-8-20(26)24-18-11-9-17(10-12-18)21-23-14-19(27-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide?
4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide has a molecular weight of 379.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 171835852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).