N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

C17H26N2O3S — CID 56803675

IUPACN-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCc1ccc(CC(C)NC(=O)CN2CCS(=O)(=O)CC2)c(C)c1
InChIInChI=1S/C17H26N2O3S/c1-13-4-5-16(14(2)10-13)11-15(3)18-17(20)12-19-6-8-23(21,22)9-7-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,18,20)
InChIKeyKBIJQBCPGDMLMJ-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.08
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (PubChem CID 56803675) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
PubChem CID56803675
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCc1ccc(CC(C)NC(=O)CN2CCS(=O)(=O)CC2)c(C)c1
InChIInChI=1S/C17H26N2O3S/c1-13-4-5-16(14(2)10-13)11-15(3)18-17(20)12-19-6-8-23(21,22)9-7-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,18,20)
InChIKeyKBIJQBCPGDMLMJ-UHFFFAOYSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94437235
N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95617271
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119779210
2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119908955
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)ethanone
CID 43797011
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 47205485
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014569
4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 56784402
1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122726
1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide
CID 164636835

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (CID 56803675) is N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is Cc1ccc(CC(C)NC(=O)CN2CCS(=O)(=O)CC2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The InChIKey is KBIJQBCPGDMLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-4-5-16(14(2)10-13)11-15(3)18-17(20)12-19-6-8-23(21,22)9-7-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide has a molecular weight of 338.47 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is sourced from PubChem (CID 56803675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).