N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide

C15H24N2OS — CID 50952896

IUPACN-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide
SMILESCc1ccsc1CCNC(C)C(=O)NC1CCCC1
InChIInChI=1S/C15H24N2OS/c1-11-8-10-19-14(11)7-9-16-12(2)15(18)17-13-5-3-4-6-13/h8,10,12-13,16H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyWSYYAUYDWLFYPD-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.64
Rot. Bonds6

About N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide

N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide (PubChem CID 50952896) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide
PubChem CID50952896
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide
SMILESCc1ccsc1CCNC(C)C(=O)NC1CCCC1
InChIInChI=1S/C15H24N2OS/c1-11-8-10-19-14(11)7-9-16-12(2)15(18)17-13-5-3-4-6-13/h8,10,12-13,16H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyWSYYAUYDWLFYPD-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide (CID 50952896) is N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide is Cc1ccsc1CCNC(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide?
The InChIKey is WSYYAUYDWLFYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-8-10-19-14(11)7-9-16-12(2)15(18)17-13-5-3-4-6-13/h8,10,12-13,16H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide?
N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide has a molecular weight of 280.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(3-methylthiophen-2-yl)ethylamino]propanamide is sourced from PubChem (CID 50952896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).