4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide

C12H20N2O2S — CID 103155651

IUPAC4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
SMILESCOC(CN)CC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-9(5-10-3-4-17-8-10)14-12(15)6-11(7-13)16-2/h3-4,8-9,11H,5-7,13H2,1-2H3,(H,14,15)
InChIKeyMDGGUTZQBXMRFH-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.16
Rot. Bonds7

About 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide

4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide (PubChem CID 103155651) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
PubChem CID103155651
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
SMILESCOC(CN)CC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-9(5-10-3-4-17-8-10)14-12(15)6-11(7-13)16-2/h3-4,8-9,11H,5-7,13H2,1-2H3,(H,14,15)
InChIKeyMDGGUTZQBXMRFH-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
CID 103155650
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
CID 120591848
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
2-(4-aminophenoxy)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 61471803
4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120593966
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 81168869
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
CID 61473652
2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
CID 54954197

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide (CID 103155651) is 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide is COC(CN)CC(=O)NC(C)Cc1ccsc1.
What is the InChIKey of 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The InChIKey is MDGGUTZQBXMRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(5-10-3-4-17-8-10)14-12(15)6-11(7-13)16-2/h3-4,8-9,11H,5-7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide has a molecular weight of 256.37 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide is sourced from PubChem (CID 103155651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).