N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C23H26N4O2S — CID 18137460

IUPACN-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCCN(CCCNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H26N4O2S/c1-2-27(20-12-7-4-8-13-20)15-9-14-24-21(28)16-19-17-30-23(25-19)26-22(29)18-10-5-3-6-11-18/h3-8,10-13,17H,2,9,14-16H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyZMHVGYCJQIFYGT-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.97
Rot. Bonds10

About N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18137460) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18137460
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCCN(CCCNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H26N4O2S/c1-2-27(20-12-7-4-8-13-20)15-9-14-24-21(28)16-19-17-30-23(25-19)26-22(29)18-10-5-3-6-11-18/h3-8,10-13,17H,2,9,14-16H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyZMHVGYCJQIFYGT-UHFFFAOYSA-N
XLogP3.97
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55835660
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 39192369
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
CID 18567678
N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18135510
N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 31832978
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-(2-naphthalen-1-yloxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 60526142
N-[4-[2-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 56578316
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 18137460) is N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CCN(CCCNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZMHVGYCJQIFYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-2-27(20-12-7-4-8-13-20)15-9-14-24-21(28)16-19-17-30-23(25-19)26-22(29)18-10-5-3-6-11-18/h3-8,10-13,17H,2,9,14-16H2,1H3,(H,24,28)(H,25,26,29).
What are the key properties of N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 422.55 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18137460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).