2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide

C14H18N2OS — CID 60704968

IUPAC2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1csc2ccccc12
InChIInChI=1S/C14H18N2OS/c1-10(2)16-14(17)8-15-7-11-9-18-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17)
InChIKeySKJGWLMTHFSXLH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.52
Rot. Bonds5

About 2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide

2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide (PubChem CID 60704968) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide
PubChem CID60704968
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1csc2ccccc12
InChIInChI=1S/C14H18N2OS/c1-10(2)16-14(17)8-15-7-11-9-18-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17)
InChIKeySKJGWLMTHFSXLH-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
3-(1-benzothiophen-3-ylmethylamino)-2-(methylamino)propanoic acid
CID 115256146
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol
CID 103631658
3-(1-benzothiophen-3-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 115164300
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
CID 146079150
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
3-(1-benzothiophen-3-ylmethylamino)-2-methylpropanenitrile
CID 62699047
(2R)-2-(1-benzothiophen-3-ylmethylamino)-4-methylpentanoic acid
CID 94550244

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide (CID 60704968) is 2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNCc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide?
The InChIKey is SKJGWLMTHFSXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(2)16-14(17)8-15-7-11-9-18-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide?
2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide has a molecular weight of 262.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 60704968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).