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

C11H17ClN2OS — CID 60938073

IUPAC2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
SMILESCCC(N)C(=O)N(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-3-9(13)11(15)14(4-2)7-8-5-6-10(12)16-8/h5-6,9H,3-4,7,13H2,1-2H3
InChIKeyRNRUDGUOMRKUGI-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.49
Rot. Bonds5

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

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide (PubChem CID 60938073) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
PubChem CID60938073
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
SMILESCCC(N)C(=O)N(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-3-9(13)11(15)14(4-2)7-8-5-6-10(12)16-8/h5-6,9H,3-4,7,13H2,1-2H3
InChIKeyRNRUDGUOMRKUGI-UHFFFAOYSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylbutanamide
CID 54869480
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
CID 62473043
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938199
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
CID 82852185
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290079
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
CID 42891269
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide
CID 55361168
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide?
The IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide (CID 60938073) is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide?
The canonical SMILES for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide is CCC(N)C(=O)N(CC)Cc1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide?
The InChIKey is RNRUDGUOMRKUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-3-9(13)11(15)14(4-2)7-8-5-6-10(12)16-8/h5-6,9H,3-4,7,13H2,1-2H3.
What are the key properties of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide?
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide has a molecular weight of 260.79 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide is sourced from PubChem (CID 60938073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).