2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide

C17H21ClN2OS — CID 50961311

IUPAC2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide
SMILESCC(NCc1csc2ccc(Cl)cc12)C(=O)NC1CCCC1
InChIInChI=1S/C17H21ClN2OS/c1-11(17(21)20-14-4-2-3-5-14)19-9-12-10-22-16-7-6-13(18)8-15(12)16/h6-8,10-11,14,19H,2-5,9H2,1H3,(H,20,21)
InChIKeyTUUQCFRCJZZKCN-UHFFFAOYSA-N
MW336.89 g/mol
LogP4.09
Rot. Bonds5

About 2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide

2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide (PubChem CID 50961311) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is 2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide
PubChem CID50961311
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC Name2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide
SMILESCC(NCc1csc2ccc(Cl)cc12)C(=O)NC1CCCC1
InChIInChI=1S/C17H21ClN2OS/c1-11(17(21)20-14-4-2-3-5-14)19-9-12-10-22-16-7-6-13(18)8-15(12)16/h6-8,10-11,14,19H,2-5,9H2,1H3,(H,20,21)
InChIKeyTUUQCFRCJZZKCN-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 115672955
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide
CID 142027494
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735
N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117185049
N-cyclopentyl-2-[(4,5-dimethylthiophen-2-yl)methylamino]propanamide
CID 65244170
2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170601
3-[(cyclopropylamino)methyl]-1-benzothiophen-5-ol
CID 117174646
5-chloro-3-[(sulfinatoamino)methyl]-1-benzothiophene
CID 68982831
(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 95205075
2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide
CID 132571850

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide (CID 50961311) is 2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide is CC(NCc1csc2ccc(Cl)cc12)C(=O)NC1CCCC1.
What is the InChIKey of 2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide?
The InChIKey is TUUQCFRCJZZKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS/c1-11(17(21)20-14-4-2-3-5-14)19-9-12-10-22-16-7-6-13(18)8-15(12)16/h6-8,10-11,14,19H,2-5,9H2,1H3,(H,20,21).
What are the key properties of 2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide?
2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide has a molecular weight of 336.89 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 50961311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).