N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide

C11H18N2OS — CID 102673467

IUPACN-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(C)Cc1cccs1
InChIInChI=1S/C11H18N2OS/c1-9(8-11-4-3-7-15-11)12-5-6-13-10(2)14/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyNNBYPTNLDXRACX-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide

N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide (PubChem CID 102673467) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
PubChem CID102673467
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(C)Cc1cccs1
InChIInChI=1S/C11H18N2OS/c1-9(8-11-4-3-7-15-11)12-5-6-13-10(2)14/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyNNBYPTNLDXRACX-UHFFFAOYSA-N
XLogP1.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 60765676
N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291377
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
CID 104668568
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
3-[2-(1-thiophen-2-ylpropan-2-ylamino)ethoxy]benzoic acid
CID 103251829

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide?
The IUPAC name of N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide (CID 102673467) is N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide is CC(=O)NCCNC(C)Cc1cccs1.
What is the InChIKey of N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide?
The InChIKey is NNBYPTNLDXRACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(8-11-4-3-7-15-11)12-5-6-13-10(2)14/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide?
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide has a molecular weight of 226.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 102673467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).