N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride

C19H23ClN2OS — CID 138398454

IUPACN-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1cccc2c1sc1ccccc12.Cl
InChIInChI=1S/C19H22N2OS.ClH/c1-3-21(4-2)13-12-20-19(22)16-10-7-9-15-14-8-5-6-11-17(14)23-18(15)16;/h5-11H,3-4,12-13H2,1-2H3,(H,20,22);1H
InChIKeyYJRACWSORHKRMZ-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.55
Rot. Bonds6

About N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride

N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride (PubChem CID 138398454) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride
PubChem CID138398454
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1cccc2c1sc1ccccc12.Cl
InChIInChI=1S/C19H22N2OS.ClH/c1-3-21(4-2)13-12-20-19(22)16-10-7-9-15-14-8-5-6-11-17(14)23-18(15)16;/h5-11H,3-4,12-13H2,1-2H3,(H,20,22);1H
InChIKeyYJRACWSORHKRMZ-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
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N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
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CID 20834316
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2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride (CID 138398454) is N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride is CCN(CC)CCNC(=O)c1cccc2c1sc1ccccc12.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride?
The InChIKey is YJRACWSORHKRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS.ClH/c1-3-21(4-2)13-12-20-19(22)16-10-7-9-15-14-8-5-6-11-17(14)23-18(15)16;/h5-11H,3-4,12-13H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride?
N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride has a molecular weight of 362.93 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride is sourced from PubChem (CID 138398454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).