3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide

C14H20N2OS — CID 113424278

IUPAC3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC1CSc2ccccc21
InChIInChI=1S/C14H20N2OS/c1-14(2,13(17)15-3)9-16-11-8-18-12-7-5-4-6-10(11)12/h4-7,11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyBDSUNHSOWPVEBQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.20
Rot. Bonds4

About 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide

3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide (PubChem CID 113424278) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide
PubChem CID113424278
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC1CSc2ccccc21
InChIInChI=1S/C14H20N2OS/c1-14(2,13(17)15-3)9-16-11-8-18-12-7-5-4-6-10(11)12/h4-7,11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyBDSUNHSOWPVEBQ-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N,2,2-trimethylpropanamide
CID 103917224
3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106275626
2,2-dimethyl-3-[[(5R)-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]propanamide
CID 99853780
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N,2,2-trimethyl-3-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]propanamide
CID 99777424
1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol
CID 103784431
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 81300721
N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103917259
3-[[(5S)-9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]-N,2,2-trimethylpropanamide
CID 99821738
N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
CID 103096687
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968
3-N-[(3S)-2,3-dihydro-1-benzothiophen-3-yl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97216887

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide (CID 113424278) is 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC1CSc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide?
The InChIKey is BDSUNHSOWPVEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2,13(17)15-3)9-16-11-8-18-12-7-5-4-6-10(11)12/h4-7,11,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide?
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide has a molecular weight of 264.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 113424278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).