2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide

C15H19ClN2OS — CID 60664128

IUPAC2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1sc2ccccc2c1Cl
InChIInChI=1S/C15H19ClN2OS/c1-3-8-17-15(19)10(2)18-9-13-14(16)11-6-4-5-7-12(11)20-13/h4-7,10,18H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyZQUJQVWOMQHQFM-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.56
Rot. Bonds6

About 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide

2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide (PubChem CID 60664128) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide
PubChem CID60664128
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1sc2ccccc2c1Cl
InChIInChI=1S/C15H19ClN2OS/c1-3-8-17-15(19)10(2)18-9-13-14(16)11-6-4-5-7-12(11)20-13/h4-7,10,18H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyZQUJQVWOMQHQFM-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine
CID 63477967
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-methylpentan-2-amine
CID 63453706
2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide
CID 18124346
2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propane-1,3-diol
CID 65315393
2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 115621874
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 113494556
1-[(3-chloro-1-benzothiophen-2-yl)methylamino]-3-methylbutan-2-ol
CID 113237031
(2S)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-propylpyrrolidine-2-carboxamide
CID 34415077
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide
CID 104878455
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-propylaniline
CID 63433971
2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide
CID 43226132
(1R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78978147

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide (CID 60664128) is 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1sc2ccccc2c1Cl.
What is the InChIKey of 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is ZQUJQVWOMQHQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-3-8-17-15(19)10(2)18-9-13-14(16)11-6-4-5-7-12(11)20-13/h4-7,10,18H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide?
2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 310.85 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 60664128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).