N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C16H19N3O4S — CID 35336299

IUPACN-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CCn2c(C)csc2=O)cc1
InChIInChI=1S/C16H19N3O4S/c1-11-10-24-16(22)19(11)8-7-14(20)17-12-3-5-13(6-4-12)18-15(21)9-23-2/h3-6,10H,7-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyYJHKNARRQKVZAU-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.83
Rot. Bonds7

About N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 35336299) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID35336299
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CCn2c(C)csc2=O)cc1
InChIInChI=1S/C16H19N3O4S/c1-11-10-24-16(22)19(11)8-7-14(20)17-12-3-5-13(6-4-12)18-15(21)9-23-2/h3-6,10H,7-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyYJHKNARRQKVZAU-UHFFFAOYSA-N
XLogP1.83
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate
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3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
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3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 37334790
N-(4-amino-2-methoxyphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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N-(2-hydroxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 35336299) is N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is COCC(=O)Nc1ccc(NC(=O)CCn2c(C)csc2=O)cc1.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is YJHKNARRQKVZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11-10-24-16(22)19(11)8-7-14(20)17-12-3-5-13(6-4-12)18-15(21)9-23-2/h3-6,10H,7-9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 349.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 35336299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).