N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide

C17H21N3O2S — CID 50971166

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CNCCc2cccs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-13(21)20(2)15-7-5-14(6-8-15)19-17(22)12-18-10-9-16-4-3-11-23-16/h3-8,11,18H,9-10,12H2,1-2H3,(H,19,22)
InChIKeyZXUTZCRNDYSRGY-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.50
Rot. Bonds7

About N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide (PubChem CID 50971166) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide
PubChem CID50971166
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CNCCc2cccs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-13(21)20(2)15-7-5-14(6-8-15)19-17(22)12-18-10-9-16-4-3-11-23-16/h3-8,11,18H,9-10,12H2,1-2H3,(H,19,22)
InChIKeyZXUTZCRNDYSRGY-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.50
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

2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 110674862
2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000912
N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242501
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242497
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552
2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 51153283
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide
CID 86862600

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide (CID 50971166) is N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide is CC(=O)N(C)c1ccc(NC(=O)CNCCc2cccs2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide?
The InChIKey is ZXUTZCRNDYSRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13(21)20(2)15-7-5-14(6-8-15)19-17(22)12-18-10-9-16-4-3-11-23-16/h3-8,11,18H,9-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide is sourced from PubChem (CID 50971166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).