N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

C19H24N2OS — CID 5323070

IUPACN-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESCCCCNC(=O)CSc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C19H24N2OS/c1-2-3-12-20-18(22)13-23-19-14-8-4-6-10-16(14)21-17-11-7-5-9-15(17)19/h4,6,8,10H,2-3,5,7,9,11-13H2,1H3,(H,20,22)
InChIKeyDJGLLFZYHDWQKR-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.12
Rot. Bonds6

About N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (PubChem CID 5323070) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
PubChem CID5323070
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESCCCCNC(=O)CSc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C19H24N2OS/c1-2-3-12-20-18(22)13-23-19-14-8-4-6-10-16(14)21-17-11-7-5-9-15(17)19/h4,6,8,10H,2-3,5,7,9,11-13H2,1H3,(H,20,22)
InChIKeyDJGLLFZYHDWQKR-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-(N-ethylanilino)propyl]acetamide
CID 20858307
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323049
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone
CID 6622084
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3245927
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-butyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588355
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-phenylacetamide
CID 20858401
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 6622143
N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine
CID 29285

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The IUPAC name of N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (CID 5323070) is N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.
What is the SMILES notation for N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The canonical SMILES for N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is CCCCNC(=O)CSc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The InChIKey is DJGLLFZYHDWQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-2-3-12-20-18(22)13-23-19-14-8-4-6-10-16(14)21-17-11-7-5-9-15(17)19/h4,6,8,10H,2-3,5,7,9,11-13H2,1H3,(H,20,22).
What are the key properties of N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide has a molecular weight of 328.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is sourced from PubChem (CID 5323070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).