N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide

C17H20N2O2S — CID 112997181

IUPACN-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(C)c1ccc(NC(=O)CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H20N2O2S/c1-12(2)13-5-7-14(8-6-13)19-17(21)11-18-16(20)10-15-4-3-9-22-15/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKGURMVJPJNKQFG-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.17
Rot. Bonds6

About N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide

N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 112997181) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
PubChem CID112997181
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(C)c1ccc(NC(=O)CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H20N2O2S/c1-12(2)13-5-7-14(8-6-13)19-17(21)11-18-16(20)10-15-4-3-9-22-15/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKGURMVJPJNKQFG-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate
CID 112999942
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997204
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112998996
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 110370222
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112997000

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide (CID 112997181) is N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide is CC(C)c1ccc(NC(=O)CNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is KGURMVJPJNKQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12(2)13-5-7-14(8-6-13)19-17(21)11-18-16(20)10-15-4-3-9-22-15/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide?
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 316.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112997181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).