N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide

C22H23N3O3S — CID 27993083

IUPACN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1
InChIInChI=1S/C22H23N3O3S/c1-15(26)23-13-5-6-16-9-11-17(12-10-16)19-14-29-22(24-19)25-21(27)18-7-3-4-8-20(18)28-2/h3-4,7-12,14H,5-6,13H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyNENYMEUEBJSRHW-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.14
Rot. Bonds8

About N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide

N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 27993083) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID27993083
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1
InChIInChI=1S/C22H23N3O3S/c1-15(26)23-13-5-6-16-9-11-17(12-10-16)19-14-29-22(24-19)25-21(27)18-7-3-4-8-20(18)28-2/h3-4,7-12,14H,5-6,13H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyNENYMEUEBJSRHW-UHFFFAOYSA-N
XLogP4.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 36531308
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 35888051
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-aminoacetamide;hydrochloride
CID 119271984
N-[2-[4-[2-[(2-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343109
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 112773417
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 6552731
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46820400
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 27993083) is N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1.
What is the InChIKey of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is NENYMEUEBJSRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15(26)23-13-5-6-16-9-11-17(12-10-16)19-14-29-22(24-19)25-21(27)18-7-3-4-8-20(18)28-2/h3-4,7-12,14H,5-6,13H2,1-2H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 409.51 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 27993083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).