3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide

C16H19N3O2S — CID 977043

IUPAC3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C16H19N3O2S/c1-3-11(4-2)14(20)18-13-7-5-6-12(10-13)15(21)19-16-17-8-9-22-16/h5-11H,3-4H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyADNOHYKLEDQPQM-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.77
Rot. Bonds6

About 3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide

3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 977043) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID977043
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C16H19N3O2S/c1-3-11(4-2)14(20)18-13-7-5-6-12(10-13)15(21)19-16-17-8-9-22-16/h5-11H,3-4H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyADNOHYKLEDQPQM-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
2-ethoxy-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321520
3-[[2-[4-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1116727
3-[[3-(2-ethylbutanoylamino)benzoyl]amino]benzoate
CID 6978042
3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
CID 1241654
N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17296385
3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321477
3-[3-(2-methoxyphenyl)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361430
4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17361450

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 977043) is 3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide is CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ADNOHYKLEDQPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-11(4-2)14(20)18-13-7-5-6-12(10-13)15(21)19-16-17-8-9-22-16/h5-11H,3-4H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 317.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 977043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).