N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C19H25N3O5S — CID 56533188

IUPACN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)C2CC2C)c1)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H25N3O5S/c1-12-10-16(12)18(24)21-15-5-3-4-14(11-15)17(23)20-13(2)19(25)22-6-8-28(26,27)9-7-22/h3-5,11-13,16H,6-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVHLIWRXFJGRVSE-UHFFFAOYSA-N
MW407.49 g/mol
LogP0.66
Rot. Bonds5

About N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 56533188) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID56533188
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)C2CC2C)c1)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H25N3O5S/c1-12-10-16(12)18(24)21-15-5-3-4-14(11-15)17(23)20-13(2)19(25)22-6-8-28(26,27)9-7-22/h3-5,11-13,16H,6-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVHLIWRXFJGRVSE-UHFFFAOYSA-N
XLogP0.66
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
CID 129418999
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56533470
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988
1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97023036
N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119616196
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 56533555
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate
CID 55670750

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 56533188) is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC(NC(=O)c1cccc(NC(=O)C2CC2C)c1)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is VHLIWRXFJGRVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-12-10-16(12)18(24)21-15-5-3-4-14(11-15)17(23)20-13(2)19(25)22-6-8-28(26,27)9-7-22/h3-5,11-13,16H,6-10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 407.49 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 56533188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).