N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide

C19H23ClN2OS — CID 20867689

IUPACN-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
SMILESCCCCNC(=O)CSc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C19H23ClN2OS/c1-2-3-10-21-18(23)12-24-19-14-6-4-5-7-16(14)22-17-11-13(20)8-9-15(17)19/h8-9,11H,2-7,10,12H2,1H3,(H,21,23)
InChIKeyVVBJYRAUXCTLNE-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.78
Rot. Bonds6

About N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide

N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide (PubChem CID 20867689) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
PubChem CID20867689
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
SMILESCCCCNC(=O)CSc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C19H23ClN2OS/c1-2-3-10-21-18(23)12-24-19-14-6-4-5-7-16(14)22-17-11-13(20)8-9-15(17)19/h8-9,11H,2-7,10,12H2,1H3,(H,21,23)
InChIKeyVVBJYRAUXCTLNE-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
The IUPAC name of N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide (CID 20867689) is N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide.
What is the SMILES notation for N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
The canonical SMILES for N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide is CCCCNC(=O)CSc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
The InChIKey is VVBJYRAUXCTLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-2-3-10-21-18(23)12-24-19-14-6-4-5-7-16(14)22-17-11-13(20)8-9-15(17)19/h8-9,11H,2-7,10,12H2,1H3,(H,21,23).
What are the key properties of N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide has a molecular weight of 362.93 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide is sourced from PubChem (CID 20867689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).