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

C19H22N2O3S — CID 52659816

IUPACN-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
SMILESO=C(CN1CCS(=O)(=O)CC1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c22-19(16-20-11-13-25(23,24)14-12-20)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyDXLJANGFYVPMMH-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.95
Rot. Bonds5

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

N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide (PubChem CID 52659816) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
PubChem CID52659816
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
SMILESO=C(CN1CCS(=O)(=O)CC1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c22-19(16-20-11-13-25(23,24)14-12-20)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyDXLJANGFYVPMMH-UHFFFAOYSA-N
XLogP1.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100
N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596417
N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
CID 111123187
4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680479
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 60546192
2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55566381
N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 55682732
2-[1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 112707407
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688
N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide
CID 51133968
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide (CID 52659816) is N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide is O=C(CN1CCS(=O)(=O)CC1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide?
The InChIKey is DXLJANGFYVPMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(16-20-11-13-25(23,24)14-12-20)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide?
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide has a molecular weight of 358.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide is sourced from PubChem (CID 52659816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).