N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

C25H23N3O3S2 — CID 55651041

IUPACN-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O3S2/c29-23(13-20-17-33-25(27-20)28-24(30)14-22-7-4-12-32-22)26-15-18-8-10-21(11-9-18)31-16-19-5-2-1-3-6-19/h1-12,17H,13-16H2,(H,26,29)(H,27,28,30)
InChIKeyUHMCJKMZEAPLGJ-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.82
Rot. Bonds10

About N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 55651041) has the molecular formula C25H23N3O3S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID55651041
Molecular FormulaC25H23N3O3S2
Molecular Weight477.61 g/mol
Exact Mass477.12
IUPAC NameN-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O3S2/c29-23(13-20-17-33-25(27-20)28-24(30)14-22-7-4-12-32-22)26-15-18-8-10-21(11-9-18)31-16-19-5-2-1-3-6-19/h1-12,17H,13-16H2,(H,26,29)(H,27,28,30)
InChIKeyUHMCJKMZEAPLGJ-UHFFFAOYSA-N
XLogP4.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-[4-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55843339
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 56586617
N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide
CID 55798429
methyl N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 16883763
N-[4-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38743043
N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38709121
N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032612
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[4-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55650603
N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38770657
N-[2-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]cyclohexanecarboxamide
CID 55805860

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 55651041) is N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is UHMCJKMZEAPLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S2/c29-23(13-20-17-33-25(27-20)28-24(30)14-22-7-4-12-32-22)26-15-18-8-10-21(11-9-18)31-16-19-5-2-1-3-6-19/h1-12,17H,13-16H2,(H,26,29)(H,27,28,30).
What are the key properties of N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 477.61 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 55651041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).