2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide

C9H13ClN2O2S — CID 81089217

IUPAC2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2O2S/c1-14-5-7(11)9(13)12-4-6-2-3-8(10)15-6/h2-3,7H,4-5,11H2,1H3,(H,12,13)
InChIKeyXITOPPKKZBOQBP-UHFFFAOYSA-N
MW248.73 g/mol
LogP0.99
Rot. Bonds5

About 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide (PubChem CID 81089217) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
PubChem CID81089217
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2O2S/c1-14-5-7(11)9(13)12-4-6-2-3-8(10)15-6/h2-3,7H,4-5,11H2,1H3,(H,12,13)
InChIKeyXITOPPKKZBOQBP-UHFFFAOYSA-N
XLogP0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
CID 106112944
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid
CID 81082349
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 62475607
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81083115
2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 120984439
2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120989904
N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 115187291
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide (CID 81089217) is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide is COCC(N)C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide?
The InChIKey is XITOPPKKZBOQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-14-5-7(11)9(13)12-4-6-2-3-8(10)15-6/h2-3,7H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide?
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide has a molecular weight of 248.73 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 81089217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).