2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide

C11H17ClN2OS — CID 103875860

IUPAC2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide
SMILESCC(NC(C(N)=O)C(C)C)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-6(2)10(11(13)15)14-7(3)8-4-5-9(12)16-8/h4-7,10,14H,1-3H3,(H2,13,15)
InChIKeyXBBYJNVWZPUKMB-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.56
Rot. Bonds5

About 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide

2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide (PubChem CID 103875860) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide
PubChem CID103875860
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide
SMILESCC(NC(C(N)=O)C(C)C)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-6(2)10(11(13)15)14-7(3)8-4-5-9(12)16-8/h4-7,10,14H,1-3H3,(H2,13,15)
InChIKeyXBBYJNVWZPUKMB-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
(2R)-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylpropanamide
CID 103932076
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate
CID 62111155
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
CID 43435789
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76925998
(2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide
CID 70306782

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide (CID 103875860) is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide is CC(NC(C(N)=O)C(C)C)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide?
The InChIKey is XBBYJNVWZPUKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-6(2)10(11(13)15)14-7(3)8-4-5-9(12)16-8/h4-7,10,14H,1-3H3,(H2,13,15).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide?
2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide has a molecular weight of 260.79 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide is sourced from PubChem (CID 103875860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).