N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide

C18H22N2O4S — CID 60546192

IUPACN-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCS(=O)(=O)CC1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C18H22N2O4S/c21-18(15-19-8-11-25(22,23)12-9-19)20(14-17-7-4-10-24-17)13-16-5-2-1-3-6-16/h1-7,10H,8-9,11-15H2
InChIKeyKFIMTVWSQYMGMN-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.54
Rot. Bonds6

About N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 60546192) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID60546192
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCS(=O)(=O)CC1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C18H22N2O4S/c21-18(15-19-8-11-25(22,23)12-9-19)20(14-17-7-4-10-24-17)13-16-5-2-1-3-6-16/h1-7,10H,8-9,11-15H2
InChIKeyKFIMTVWSQYMGMN-UHFFFAOYSA-N
XLogP1.54
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55570754
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
CID 52659816
N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 56554989
N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 25482636
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55998165
N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 51148631
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 37428744
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide (CID 60546192) is N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCS(=O)(=O)CC1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KFIMTVWSQYMGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c21-18(15-19-8-11-25(22,23)12-9-19)20(14-17-7-4-10-24-17)13-16-5-2-1-3-6-16/h1-7,10H,8-9,11-15H2.
What are the key properties of N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 60546192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).