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

C20H19N3O2S — CID 87646961

IUPAC3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-14-13-16(19(25)23-20-21-11-12-26-20)8-9-17(14)22-18(24)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-13H,7,10H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyMWVLGLFNONBYAO-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.28
Rot. Bonds6

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

3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 87646961) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID87646961
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-14-13-16(19(25)23-20-21-11-12-26-20)8-9-17(14)22-18(24)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-13H,7,10H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyMWVLGLFNONBYAO-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 175248146
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide
CID 11347887
4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 4956346
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 19221204
3-[3-(2-methoxyphenyl)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361430
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 87646961) is 3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide is Cc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CCc1ccccc1.
What is the InChIKey of 3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is MWVLGLFNONBYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-13-16(19(25)23-20-21-11-12-26-20)8-9-17(14)22-18(24)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-13H,7,10H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of 3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 365.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 87646961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).