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

C9H13ClN2O2S — CID 106112944

IUPAC3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2O2S/c1-14-7(4-11)9(13)12-5-6-2-3-8(10)15-6/h2-3,7H,4-5,11H2,1H3,(H,12,13)
InChIKeyJFZODHPQSVZQOO-UHFFFAOYSA-N
MW248.73 g/mol
LogP0.99
Rot. Bonds5

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

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide (PubChem CID 106112944) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
PubChem CID106112944
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2O2S/c1-14-7(4-11)9(13)12-5-6-2-3-8(10)15-6/h2-3,7H,4-5,11H2,1H3,(H,12,13)
InChIKeyJFZODHPQSVZQOO-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

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 106113222
N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 115187291
3-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-methoxypropan-1-one
CID 106111928
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid
CID 81082349
2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 116678035
2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate
CID 79348989
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[(5-chlorothiophen-2-yl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 46402193
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
CID 106111327

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide (CID 106112944) is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide is COC(CN)C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide?
The InChIKey is JFZODHPQSVZQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-14-7(4-11)9(13)12-5-6-2-3-8(10)15-6/h2-3,7H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide?
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-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 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 106112944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).