4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride

C12H20Cl2N2OS — CID 120559212

IUPAC4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CCC(C)N.Cl
InChIInChI=1S/C12H19ClN2OS.ClH/c1-3-15(12(16)7-4-9(2)14)8-10-5-6-11(13)17-10;/h5-6,9H,3-4,7-8,14H2,1-2H3;1H
InChIKeyNUNHYHSTRUWBNJ-UHFFFAOYSA-N
MW311.28 g/mol
LogP3.30
Rot. Bonds6

About 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride

4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride (PubChem CID 120559212) has the molecular formula C12H20Cl2N2OS and a molecular weight of 311.28 g/mol. Its IUPAC name is 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
PubChem CID120559212
Molecular FormulaC12H20Cl2N2OS
Molecular Weight311.28 g/mol
Exact Mass310.07
IUPAC Name4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CCC(C)N.Cl
InChIInChI=1S/C12H19ClN2OS.ClH/c1-3-15(12(16)7-4-9(2)14)8-10-5-6-11(13)17-10;/h5-6,9H,3-4,7-8,14H2,1-2H3;1H
InChIKeyNUNHYHSTRUWBNJ-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
CID 82852185
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
CID 62473043
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide
CID 62838497
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide
CID 34132705

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride (CID 120559212) is 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride is CCN(Cc1ccc(Cl)s1)C(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride?
The InChIKey is NUNHYHSTRUWBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS.ClH/c1-3-15(12(16)7-4-9(2)14)8-10-5-6-11(13)17-10;/h5-6,9H,3-4,7-8,14H2,1-2H3;1H.
What are the key properties of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride?
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride has a molecular weight of 311.28 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride is sourced from PubChem (CID 120559212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).