4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide

C20H19N3O2S — CID 17361450

IUPAC4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCCC(C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-2-17(14-6-4-3-5-7-14)19(25)22-16-10-8-15(9-11-16)18(24)23-20-21-12-13-26-20/h3-13,17H,2H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyXQGQFAPJOSCYAV-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.53
Rot. Bonds6

About 4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide

4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 17361450) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID17361450
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCCC(C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-2-17(14-6-4-3-5-7-14)19(25)22-16-10-8-15(9-11-16)18(24)23-20-21-12-13-26-20/h3-13,17H,2H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyXQGQFAPJOSCYAV-UHFFFAOYSA-N
XLogP4.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 977043
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
2-phenyl-3-pyridin-2-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 110628941
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361566
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 2925349

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 17361450) is 4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide is CCC(C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccccc1.
What is the InChIKey of 4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is XQGQFAPJOSCYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-2-17(14-6-4-3-5-7-14)19(25)22-16-10-8-15(9-11-16)18(24)23-20-21-12-13-26-20/h3-13,17H,2H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 365.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).