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

C13H21ClN2OS — CID 82852185

IUPAC5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CCCC(C)N
InChIInChI=1S/C13H21ClN2OS/c1-3-16(9-11-7-8-12(14)18-11)13(17)6-4-5-10(2)15/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyOUCTUKIZUFDUSV-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.27
Rot. Bonds7

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

5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide (PubChem CID 82852185) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide.

Molecular Properties

Compound Name5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
PubChem CID82852185
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CCCC(C)N
InChIInChI=1S/C13H21ClN2OS/c1-3-16(9-11-7-8-12(14)18-11)13(17)6-4-5-10(2)15/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyOUCTUKIZUFDUSV-UHFFFAOYSA-N
XLogP3.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
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-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide
CID 34132705
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
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
5-amino-N,N-diethylhexanamide
CID 82848451
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide?
The IUPAC name of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide (CID 82852185) is 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide.
What is the SMILES notation for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide?
The canonical SMILES for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide is CCN(Cc1ccc(Cl)s1)C(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide?
The InChIKey is OUCTUKIZUFDUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-3-16(9-11-7-8-12(14)18-11)13(17)6-4-5-10(2)15/h7-8,10H,3-6,9,15H2,1-2H3.
What are the key properties of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide?
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide has a molecular weight of 288.84 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide is sourced from PubChem (CID 82852185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).