2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide

C25H33N3O3S — CID 56505437

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCc1cccc(CN2CCC(NC(=O)C(c3ccccc3)N3CCS(=O)(=O)CC3)CC2)c1
InChIInChI=1S/C25H33N3O3S/c1-20-6-5-7-21(18-20)19-27-12-10-23(11-13-27)26-25(29)24(22-8-3-2-4-9-22)28-14-16-32(30,31)17-15-28/h2-9,18,23-24H,10-17,19H2,1H3,(H,26,29)
InChIKeyVDNJPLVSVIKZQS-UHFFFAOYSA-N
MW455.62 g/mol
LogP2.55
Rot. Bonds6

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 56505437) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID56505437
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCc1cccc(CN2CCC(NC(=O)C(c3ccccc3)N3CCS(=O)(=O)CC3)CC2)c1
InChIInChI=1S/C25H33N3O3S/c1-20-6-5-7-21(18-20)19-27-12-10-23(11-13-27)26-25(29)24(22-8-3-2-4-9-22)28-14-16-32(30,31)17-15-28/h2-9,18,23-24H,10-17,19H2,1H3,(H,26,29)
InChIKeyVDNJPLVSVIKZQS-UHFFFAOYSA-N
XLogP2.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505309
1-[[3-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 56504793
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylacetamide
CID 56505304
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24593623
N-(1-cycloheptylpyrrolidin-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56575838
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55745273
1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 100660209

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (CID 56505437) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide is Cc1cccc(CN2CCC(NC(=O)C(c3ccccc3)N3CCS(=O)(=O)CC3)CC2)c1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is VDNJPLVSVIKZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-20-6-5-7-21(18-20)19-27-12-10-23(11-13-27)26-25(29)24(22-8-3-2-4-9-22)28-14-16-32(30,31)17-15-28/h2-9,18,23-24H,10-17,19H2,1H3,(H,26,29).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 455.62 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 56505437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).