2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

C12H20N2O2S — CID 62475602

IUPAC2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCOCCC(N)C(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C12H20N2O2S/c1-8-4-5-11(17-8)9(2)14-12(15)10(13)6-7-16-3/h4-5,9-10H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyDLHHJZABKGJTBD-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.60
Rot. Bonds6

About 2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (PubChem CID 62475602) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
PubChem CID62475602
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCOCCC(N)C(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C12H20N2O2S/c1-8-4-5-11(17-8)9(2)14-12(15)10(13)6-7-16-3/h4-5,9-10H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyDLHHJZABKGJTBD-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 61477715
2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
CID 81380450
2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 62475607
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79812423
2-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65049176
3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 65269980

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (CID 62475602) is 2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is COCCC(N)C(=O)NC(C)c1ccc(C)s1.
What is the InChIKey of 2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The InChIKey is DLHHJZABKGJTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8-4-5-11(17-8)9(2)14-12(15)10(13)6-7-16-3/h4-5,9-10H,6-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide has a molecular weight of 256.37 g/mol, XLogP of 1.60, 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-[1-(5-methylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 62475602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).