2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide

C15H20N2OS — CID 61062685

IUPAC2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNc1ccc2sccc2c1
InChIInChI=1S/C15H20N2OS/c1-11(2)5-7-16-15(18)10-17-13-3-4-14-12(9-13)6-8-19-14/h3-4,6,8-9,11,17H,5,7,10H2,1-2H3,(H,16,18)
InChIKeyFEOIXKPOWADEFQ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.48
Rot. Bonds6

About 2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide

2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide (PubChem CID 61062685) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide
PubChem CID61062685
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNc1ccc2sccc2c1
InChIInChI=1S/C15H20N2OS/c1-11(2)5-7-16-15(18)10-17-13-3-4-14-12(9-13)6-8-19-14/h3-4,6,8-9,11,17H,5,7,10H2,1-2H3,(H,16,18)
InChIKeyFEOIXKPOWADEFQ-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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-pentan-3-ylacetamide
CID 60751182
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
CID 106932216
2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide
CID 60706018
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
2-(3-ethylanilino)-N-(3-methylbutyl)acetamide
CID 60672205
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 61179447

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide (CID 61062685) is 2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CNc1ccc2sccc2c1.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide?
The InChIKey is FEOIXKPOWADEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(2)5-7-16-15(18)10-17-13-3-4-14-12(9-13)6-8-19-14/h3-4,6,8-9,11,17H,5,7,10H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide?
2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 3.48, 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 61062685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).