2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide

C11H17ClN2OS — CID 102976318

IUPAC2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1csc(Cl)c1
InChIInChI=1S/C11H17ClN2OS/c1-7(2)14-11(15)5-13-8(3)9-4-10(12)16-6-9/h4,6-8,13H,5H2,1-3H3,(H,14,15)
InChIKeyPPSYQMRCUAVDQT-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.58
Rot. Bonds5

About 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide

2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 102976318) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
PubChem CID102976318
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1csc(Cl)c1
InChIInChI=1S/C11H17ClN2OS/c1-7(2)14-11(15)5-13-8(3)9-4-10(12)16-6-9/h4,6-8,13H,5H2,1-3H3,(H,14,15)
InChIKeyPPSYQMRCUAVDQT-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide
CID 102976365
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide
CID 102976301
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
CID 106170372
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523
1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
CID 102976587
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide
CID 102976770
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol
CID 102976626
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide (CID 102976318) is 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(C)c1csc(Cl)c1.
What is the InChIKey of 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is PPSYQMRCUAVDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-7(2)14-11(15)5-13-8(3)9-4-10(12)16-6-9/h4,6-8,13H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide?
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 260.79 g/mol, XLogP of 2.58, 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-3-yl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 102976318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).