2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide

C18H24N4O3S — CID 56540457

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide
SMILESCC(Cn1ccnc1)NC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C18H24N4O3S/c1-15(13-21-8-7-19-14-21)20-18(23)17(16-5-3-2-4-6-16)22-9-11-26(24,25)12-10-22/h2-8,14-15,17H,9-13H2,1H3,(H,20,23)
InChIKeyWKDGNWNHOJWKMY-UHFFFAOYSA-N
MW376.48 g/mol
LogP0.86
Rot. Bonds6

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide (PubChem CID 56540457) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide
PubChem CID56540457
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide
SMILESCC(Cn1ccnc1)NC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C18H24N4O3S/c1-15(13-21-8-7-19-14-21)20-18(23)17(16-5-3-2-4-6-16)22-9-11-26(24,25)12-10-22/h2-8,14-15,17H,9-13H2,1H3,(H,20,23)
InChIKeyWKDGNWNHOJWKMY-UHFFFAOYSA-N
XLogP0.86
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylacetamide
CID 56513855
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56515058
N-[3-[benzyl(methyl)amino]propyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516594
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-phenylbutyl)acetamide
CID 56516854
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 120506442
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide (CID 56540457) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide is CC(Cn1ccnc1)NC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide?
The InChIKey is WKDGNWNHOJWKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-15(13-21-8-7-19-14-21)20-18(23)17(16-5-3-2-4-6-16)22-9-11-26(24,25)12-10-22/h2-8,14-15,17H,9-13H2,1H3,(H,20,23).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide has a molecular weight of 376.48 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide is sourced from PubChem (CID 56540457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).