N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide

C18H25N3O6S — CID 56544711

IUPACN-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C18H25N3O6S/c1-3-27-15-6-4-14(5-7-15)17(23)19-12-16(22)20-13(2)18(24)21-8-10-28(25,26)11-9-21/h4-7,13H,3,8-12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyRITZDLCUUNSNCK-UHFFFAOYSA-N
MW411.48 g/mol
LogP-0.42
Rot. Bonds7

About N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide

N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 56544711) has the molecular formula C18H25N3O6S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide
PubChem CID56544711
Molecular FormulaC18H25N3O6S
Molecular Weight411.48 g/mol
Exact Mass411.15
IUPAC NameN-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C18H25N3O6S/c1-3-27-15-6-4-14(5-7-15)17(23)19-12-16(22)20-13(2)18(24)21-8-10-28(25,26)11-9-21/h4-7,13H,3,8-12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyRITZDLCUUNSNCK-UHFFFAOYSA-N
XLogP-0.42
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 56580995
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
CID 120523615
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 56533555
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737
N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 56544966
4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide
CID 46603352
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide
CID 145307952
4-ethoxy-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 43067377
4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100171

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide (CID 56544711) is N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is RITZDLCUUNSNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6S/c1-3-27-15-6-4-14(5-7-15)17(23)19-12-16(22)20-13(2)18(24)21-8-10-28(25,26)11-9-21/h4-7,13H,3,8-12H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide?
N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 411.48 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 56544711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).