N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

C23H27N3O4S2 — CID 38709121

IUPACN-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCCOc1ccc(CCNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1OCC
InChIInChI=1S/C23H27N3O4S2/c1-3-29-19-8-7-16(12-20(19)30-4-2)9-10-24-21(27)13-17-15-32-23(25-17)26-22(28)14-18-6-5-11-31-18/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyWXXGSBSNXDUQLE-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.08
Rot. Bonds12

About N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 38709121) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID38709121
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC NameN-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCCOc1ccc(CCNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1OCC
InChIInChI=1S/C23H27N3O4S2/c1-3-29-19-8-7-16(12-20(19)30-4-2)9-10-24-21(27)13-17-15-32-23(25-17)26-22(28)14-18-6-5-11-31-18/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyWXXGSBSNXDUQLE-UHFFFAOYSA-N
XLogP4.08
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 40722992
N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55651041
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 56586617
N-[4-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55796754
N-[2-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]cyclohexanecarboxamide
CID 55805860
N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 35705578
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568006
N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide
CID 55798429
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891596

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 38709121) is N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is CCOc1ccc(CCNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1OCC.
What is the InChIKey of N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is WXXGSBSNXDUQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-3-29-19-8-7-16(12-20(19)30-4-2)9-10-24-21(27)13-17-15-32-23(25-17)26-22(28)14-18-6-5-11-31-18/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 473.62 g/mol, XLogP of 4.08, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 38709121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).