2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide

C10H15ClN2OS — CID 43705072

IUPAC2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide
SMILESCCC(N)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-3-7(12)10(14)13-6(2)8-4-5-9(11)15-8/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeyRSAGOSYIIJQOST-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide

2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide (PubChem CID 43705072) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide
PubChem CID43705072
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide
SMILESCCC(N)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-3-7(12)10(14)13-6(2)8-4-5-9(11)15-8/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeyRSAGOSYIIJQOST-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide?
The IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide (CID 43705072) is 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide is CCC(N)C(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide?
The InChIKey is RSAGOSYIIJQOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-3-7(12)10(14)13-6(2)8-4-5-9(11)15-8/h4-7H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide?
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide has a molecular weight of 246.76 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 43705072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).