4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide

C11H18N2O2S — CID 103155650

IUPAC4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
SMILESCOC(CN)CC(=O)NCCc1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-15-10(7-12)6-11(14)13-4-2-9-3-5-16-8-9/h3,5,8,10H,2,4,6-7,12H2,1H3,(H,13,14)
InChIKeyCQGSAOALEFJKRJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.77
Rot. Bonds7

About 4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide

4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide (PubChem CID 103155650) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
PubChem CID103155650
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
SMILESCOC(CN)CC(=O)NCCc1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-15-10(7-12)6-11(14)13-4-2-9-3-5-16-8-9/h3,5,8,10H,2,4,6-7,12H2,1H3,(H,13,14)
InChIKeyCQGSAOALEFJKRJ-UHFFFAOYSA-N
XLogP0.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride
CID 120587130
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide
CID 104502469
4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 120589267
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
CID 120590079
7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide
CID 61475450
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide (CID 103155650) is 4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide is COC(CN)CC(=O)NCCc1ccsc1.
What is the InChIKey of 4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide?
The InChIKey is CQGSAOALEFJKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-15-10(7-12)6-11(14)13-4-2-9-3-5-16-8-9/h3,5,8,10H,2,4,6-7,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide?
4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide has a molecular weight of 242.34 g/mol, XLogP of 0.77, 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-(2-thiophen-3-ylethyl)butanamide is sourced from PubChem (CID 103155650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).