3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide

C18H23N3O2S — CID 46982332

IUPAC3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)NCCc2nc(CC)cs2)c1
InChIInChI=1S/C18H23N3O2S/c1-3-6-16(22)20-15-8-5-7-13(11-15)18(23)19-10-9-17-21-14(4-2)12-24-17/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyYZIBLRFDGJOFJL-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.42
Rot. Bonds8

About 3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide

3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 46982332) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID46982332
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)NCCc2nc(CC)cs2)c1
InChIInChI=1S/C18H23N3O2S/c1-3-6-16(22)20-15-8-5-7-13(11-15)18(23)19-10-9-17-21-14(4-2)12-24-17/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyYZIBLRFDGJOFJL-UHFFFAOYSA-N
XLogP3.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193627
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CID 62799063
N-butyl-3-(heptanoylamino)benzamide
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N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
3-(hexanoylamino)-N-(2-methoxyethyl)benzamide
CID 17219031
3-(butanoylamino)benzoate
CID 5092431
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 21369517
3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
CID 60867621
3-[(S)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
CID 95354034
3-[3-(4-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795409

Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 46982332) is 3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide is CCCC(=O)Nc1cccc(C(=O)NCCc2nc(CC)cs2)c1.
What is the InChIKey of 3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is YZIBLRFDGJOFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-6-16(22)20-15-8-5-7-13(11-15)18(23)19-10-9-17-21-14(4-2)12-24-17/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 345.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 46982332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).