N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C18H27N3O5S — CID 110618492

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCN(CC)CCOCCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C18H27N3O5S/c1-3-20(4-2)11-13-26-12-10-19-18(23)15-5-7-16(8-6-15)21-17(22)9-14-27(21,24)25/h5-8H,3-4,9-14H2,1-2H3,(H,19,23)
InChIKeyQZIMHSHFUBDPGL-UHFFFAOYSA-N
MW397.50 g/mol
LogP0.84
Rot. Bonds10

About N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 110618492) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID110618492
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCN(CC)CCOCCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C18H27N3O5S/c1-3-20(4-2)11-13-26-12-10-19-18(23)15-5-7-16(8-6-15)21-17(22)9-14-27(21,24)25/h5-8H,3-4,9-14H2,1-2H3,(H,19,23)
InChIKeyQZIMHSHFUBDPGL-UHFFFAOYSA-N
XLogP0.84
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006820
N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006832
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
CID 110425052
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110310142
N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110616599
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110425565
N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996561
2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007121
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110416362
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
2-chloro-N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007137

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 110618492) is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CCN(CC)CCOCCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is QZIMHSHFUBDPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-3-20(4-2)11-13-26-12-10-19-18(23)15-5-7-16(8-6-15)21-17(22)9-14-27(21,24)25/h5-8H,3-4,9-14H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 397.50 g/mol, XLogP of 0.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 110618492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).