2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide

C10H15ClN2OS — CID 43401763

IUPAC2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-3-12-10(14)7(2)13-6-8-4-5-9(11)15-8/h4-5,7,13H,3,6H2,1-2H3,(H,12,14)
InChIKeyZGRMBHMNCKGLNU-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.02
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide

2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide (PubChem CID 43401763) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide
PubChem CID43401763
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-3-12-10(14)7(2)13-6-8-4-5-9(11)15-8/h4-5,7,13H,3,6H2,1-2H3,(H,12,14)
InChIKeyZGRMBHMNCKGLNU-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide (CID 43401763) is 2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide?
The InChIKey is ZGRMBHMNCKGLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-3-12-10(14)7(2)13-6-8-4-5-9(11)15-8/h4-5,7,13H,3,6H2,1-2H3,(H,12,14).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide?
2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide has a molecular weight of 246.76 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 43401763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).