2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide

C15H20N2OS — CID 60751182

IUPAC2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1ccc2sccc2c1
InChIInChI=1S/C15H20N2OS/c1-3-12(4-2)17-15(18)10-16-13-5-6-14-11(9-13)7-8-19-14/h5-9,12,16H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyQHOARIXPQHDOCI-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.62
Rot. Bonds6

About 2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide

2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide (PubChem CID 60751182) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide
PubChem CID60751182
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1ccc2sccc2c1
InChIInChI=1S/C15H20N2OS/c1-3-12(4-2)17-15(18)10-16-13-5-6-14-11(9-13)7-8-19-14/h5-9,12,16H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyQHOARIXPQHDOCI-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-5-ylamino)-N-propylacetamide
CID 60751180
2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide
CID 61062685
2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide
CID 60706018
2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide
CID 60671364
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
CID 106932216
2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide
CID 65475664
2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone
CID 60706036
3-(1-benzothiophen-5-ylcarbamoylamino)butanoic acid
CID 65453593
methyl 3-(1-benzothiophen-5-ylamino)-2-bromopropanoate
CID 103252347
ethyl 3-(1-benzothiophen-5-ylamino)propanoate
CID 65474309
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
CID 60685338
N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
CID 65450538

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide (CID 60751182) is 2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNc1ccc2sccc2c1.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide?
The InChIKey is QHOARIXPQHDOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-12(4-2)17-15(18)10-16-13-5-6-14-11(9-13)7-8-19-14/h5-9,12,16H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of 2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide?
2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide has a molecular weight of 276.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide is sourced from PubChem (CID 60751182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).