2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide

C16H19N3O3S — CID 41259077

IUPAC2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1nccs1)C(C)C
InChIInChI=1S/C16H19N3O3S/c1-10(2)13(15(21)19-16-17-8-9-23-16)18-14(20)11-6-4-5-7-12(11)22-3/h4-10,13H,1-3H3,(H,18,20)(H,17,19,21)/t13-/m1/s1
InChIKeyPPWYOIIRBQSLEU-CYBMUJFWSA-N
MW333.41 g/mol
LogP2.54
Rot. Bonds6

About 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide

2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide (PubChem CID 41259077) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
PubChem CID41259077
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1nccs1)C(C)C
InChIInChI=1S/C16H19N3O3S/c1-10(2)13(15(21)19-16-17-8-9-23-16)18-14(20)11-6-4-5-7-12(11)22-3/h4-10,13H,1-3H3,(H,18,20)(H,17,19,21)/t13-/m1/s1
InChIKeyPPWYOIIRBQSLEU-CYBMUJFWSA-N
XLogP2.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide with MolForge

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Related Compounds

2-methyl-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 2666515
2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 112760590
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
CID 78775630
N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide
CID 167424707
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29204396
2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 51337636
[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
CID 137352458
2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide (CID 41259077) is 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide is COc1ccccc1C(=O)N[C@@H](C(=O)Nc1nccs1)C(C)C.
What is the InChIKey of 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The InChIKey is PPWYOIIRBQSLEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10(2)13(15(21)19-16-17-8-9-23-16)18-14(20)11-6-4-5-7-12(11)22-3/h4-10,13H,1-3H3,(H,18,20)(H,17,19,21)/t13-/m1/s1.
What are the key properties of 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide has a molecular weight of 333.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 41259077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).