2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide

C11H18N2O2S — CID 62475607

IUPAC2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILESCOCCC(N)C(=O)NCc1ccc(C)s1
InChIInChI=1S/C11H18N2O2S/c1-8-3-4-9(16-8)7-13-11(14)10(12)5-6-15-2/h3-4,10H,5-7,12H2,1-2H3,(H,13,14)
InChIKeyPSLFQBSVBBEXNE-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.04
Rot. Bonds6

About 2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide

2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide (PubChem CID 62475607) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
PubChem CID62475607
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILESCOCCC(N)C(=O)NCc1ccc(C)s1
InChIInChI=1S/C11H18N2O2S/c1-8-3-4-9(16-8)7-13-11(14)10(12)5-6-15-2/h3-4,10H,5-7,12H2,1-2H3,(H,13,14)
InChIKeyPSLFQBSVBBEXNE-UHFFFAOYSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 62475602
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 62056243
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
(2S)-2-amino-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119709408
6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 65291508
2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 62473216
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
3-methoxy-2-[(5-methylthiophen-2-yl)methylamino]propanoic acid
CID 103248296
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302394

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide (CID 62475607) is 2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide is COCCC(N)C(=O)NCc1ccc(C)s1.
What is the InChIKey of 2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is PSLFQBSVBBEXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8-3-4-9(16-8)7-13-11(14)10(12)5-6-15-2/h3-4,10H,5-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide?
2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 242.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 62475607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).