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

C14H20N2OS — CID 79214054

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC1Cc2ccccc2S1
InChIInChI=1S/C14H20N2OS/c1-10(2)16-14(17)9-15-8-12-7-11-5-3-4-6-13(11)18-12/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyLZPZUVOCAKLCJW-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.82
Rot. Bonds5

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

2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide (PubChem CID 79214054) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide
PubChem CID79214054
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC1Cc2ccccc2S1
InChIInChI=1S/C14H20N2OS/c1-10(2)16-14(17)9-15-8-12-7-11-5-3-4-6-13(11)18-12/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyLZPZUVOCAKLCJW-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
CID 79214050
2-(2,3-dihydro-1-benzothiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 79212476
1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol
CID 107152561
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 79223012
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 79222856
4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)butanamide
CID 79214063
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbut-2-en-1-amine
CID 106188620
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine
CID 79223006
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-2-methylpropanoic acid
CID 79228924
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546
1-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propan-2-amine
CID 79224418

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide (CID 79214054) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNCC1Cc2ccccc2S1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide?
The InChIKey is LZPZUVOCAKLCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)16-14(17)9-15-8-12-7-11-5-3-4-6-13(11)18-12/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide?
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide has a molecular weight of 264.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 79214054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).