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

C15H19ClN2OS — CID 115621874

IUPAC2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCc1sc2ccccc2c1Cl
InChIInChI=1S/C15H19ClN2OS/c1-10(2)7-18-14(19)9-17-8-13-15(16)11-5-3-4-6-12(11)20-13/h3-6,10,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyZZZSCARZXUVMLR-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.42
Rot. Bonds6

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

2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 115621874) 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-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide
PubChem CID115621874
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCc1sc2ccccc2c1Cl
InChIInChI=1S/C15H19ClN2OS/c1-10(2)7-18-14(19)9-17-8-13-15(16)11-5-3-4-6-12(11)20-13/h3-6,10,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyZZZSCARZXUVMLR-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-1-benzothiophen-2-yl)methylamino]-3-methylbutan-2-ol
CID 113237031
[2-(2-methylpropylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 4564247
2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide
CID 60664128
3-[(3-chloro-1-benzothiophen-2-yl)methylamino]propan-1-ol
CID 60662747
2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 60695447
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 70709391
4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol
CID 115603303
N-(2-methylpropyl)-2-[(2-propan-2-yloxyphenyl)methylamino]acetamide
CID 115621831
N'-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine
CID 56808698
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-methylpentan-2-amine
CID 63453706
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60961374

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide (CID 115621874) is 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNCc1sc2ccccc2c1Cl.
What is the InChIKey of 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is ZZZSCARZXUVMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-10(2)7-18-14(19)9-17-8-13-15(16)11-5-3-4-6-12(11)20-13/h3-6,10,17H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 310.85 g/mol, XLogP of 3.42, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 115621874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).