N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide

C13H20N2O2S — CID 18118510

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide
SMILESCC(C)(C)NC(=O)CNC(=O)CCc1ccsc1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)15-12(17)8-14-11(16)5-4-10-6-7-18-9-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyVWMFWGVDXIKILG-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide (PubChem CID 18118510) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide
PubChem CID18118510
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide
SMILESCC(C)(C)NC(=O)CNC(=O)CCc1ccsc1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)15-12(17)8-14-11(16)5-4-10-6-7-18-9-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyVWMFWGVDXIKILG-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
CID 36905667
N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide
CID 84596800
3-methyl-3-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 75482441
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 29299905
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide
CID 78801224
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 47036203

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide (CID 18118510) is N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide is CC(C)(C)NC(=O)CNC(=O)CCc1ccsc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is VWMFWGVDXIKILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)15-12(17)8-14-11(16)5-4-10-6-7-18-9-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 268.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 18118510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).