2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide

C11H17BrN2OS — CID 43224081

IUPAC2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cc(Br)cs1
InChIInChI=1S/C11H17BrN2OS/c1-3-4-13-11(15)8(2)14-6-10-5-9(12)7-16-10/h5,7-8,14H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyBBAMUWNNOYSCCF-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.51
Rot. Bonds6

About 2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide

2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide (PubChem CID 43224081) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide
PubChem CID43224081
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cc(Br)cs1
InChIInChI=1S/C11H17BrN2OS/c1-3-4-13-11(15)8(2)14-6-10-5-9(12)7-16-10/h5,7-8,14H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyBBAMUWNNOYSCCF-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide (CID 43224081) is 2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is BBAMUWNNOYSCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-3-4-13-11(15)8(2)14-6-10-5-9(12)7-16-10/h5,7-8,14H,3-4,6H2,1-2H3,(H,13,15).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide?
2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 305.24 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 43224081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).