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

C17H20N2O3S — CID 112998996

IUPACN-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(C)Oc1ccccc1NC(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C17H20N2O3S/c1-12(2)22-15-8-4-3-7-14(15)19-17(21)11-18-16(20)10-13-6-5-9-23-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWDLRLNADNPBKDP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.83
Rot. Bonds7

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

N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 112998996) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide
PubChem CID112998996
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(C)Oc1ccccc1NC(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C17H20N2O3S/c1-12(2)22-15-8-4-3-7-14(15)19-17(21)11-18-16(20)10-13-6-5-9-23-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWDLRLNADNPBKDP-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide
CID 110698081
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112997181
(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 110670963
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-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113000560
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999010
2-(butan-2-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54829029
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide (CID 112998996) is N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide is CC(C)Oc1ccccc1NC(=O)CNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is WDLRLNADNPBKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12(2)22-15-8-4-3-7-14(15)19-17(21)11-18-16(20)10-13-6-5-9-23-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide?
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 332.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112998996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).