N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide

C21H26N2O3S — CID 110303556

IUPACN-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(N3CCCCS3(=O)=O)c(C)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-5-7-18(8-6-16)9-12-21(24)22-19-10-11-20(17(2)15-19)23-13-3-4-14-27(23,25)26/h5-8,10-11,15H,3-4,9,12-14H2,1-2H3,(H,22,24)
InChIKeyQUHQGSCHBWZKHG-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.80
Rot. Bonds5

About N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide

N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide (PubChem CID 110303556) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide
PubChem CID110303556
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(N3CCCCS3(=O)=O)c(C)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-5-7-18(8-6-16)9-12-21(24)22-19-10-11-20(17(2)15-19)23-13-3-4-14-27(23,25)26/h5-8,10-11,15H,3-4,9,12-14H2,1-2H3,(H,22,24)
InChIKeyQUHQGSCHBWZKHG-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303569
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(furan-2-yl)propanamide
CID 110303557
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(4-methylphenyl)butanamide
CID 110302263
2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide
CID 82084355
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
CID 110353562
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methylsulfonylpropanamide
CID 110622893
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
CID 112505754
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]pentanamide
CID 120563198
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide (CID 110303556) is N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(N3CCCCS3(=O)=O)c(C)c2)cc1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is QUHQGSCHBWZKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-5-7-18(8-6-16)9-12-21(24)22-19-10-11-20(17(2)15-19)23-13-3-4-14-27(23,25)26/h5-8,10-11,15H,3-4,9,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide?
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110303556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).