N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide

C20H22N4O2S2 — CID 26583201

IUPACN-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C20H22N4O2S2/c1-3-24(10-18-13-28-20(23-18)15-8-9-27-12-15)11-19(26)22-17-6-4-16(5-7-17)21-14(2)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyONMPZAUXNXQIKZ-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.29
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide

N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide (PubChem CID 26583201) has the molecular formula C20H22N4O2S2 and a molecular weight of 414.56 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
PubChem CID26583201
Molecular FormulaC20H22N4O2S2
Molecular Weight414.56 g/mol
Exact Mass414.12
IUPAC NameN-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C20H22N4O2S2/c1-3-24(10-18-13-28-20(23-18)15-8-9-27-12-15)11-19(26)22-17-6-4-16(5-7-17)21-14(2)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyONMPZAUXNXQIKZ-UHFFFAOYSA-N
XLogP4.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 8683972
N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 134039427
N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55960719
methyl 2-[methyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 60673153
[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130583
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 55410008
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9089274
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55411702
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-ethyl-2-[ethyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51223958
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51217435

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide (CID 26583201) is N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The InChIKey is ONMPZAUXNXQIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S2/c1-3-24(10-18-13-28-20(23-18)15-8-9-27-12-15)11-19(26)22-17-6-4-16(5-7-17)21-14(2)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide has a molecular weight of 414.56 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 26583201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).