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

C20H24N2O3S — CID 110303569

IUPACN-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-7-9-17(10-8-16)11-12-20(23)21-18-5-4-6-19(15-18)22-13-2-3-14-26(22,24)25/h4-10,15H,2-3,11-14H2,1H3,(H,21,23)
InChIKeyCYMZVKNXZKTTGO-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.50
Rot. Bonds5

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

N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 110303569) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide
PubChem CID110303569
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-7-9-17(10-8-16)11-12-20(23)21-18-5-4-6-19(15-18)22-13-2-3-14-26(22,24)25/h4-10,15H,2-3,11-14H2,1H3,(H,21,23)
InChIKeyCYMZVKNXZKTTGO-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(4-methylphenyl)butanamide
CID 110302263
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide
CID 110303556
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 112503000
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
2-(3,4-dimethoxyphenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483155
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]prop-2-enamide
CID 166415169

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide (CID 110303569) is N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)cc1.
What is the InChIKey of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is CYMZVKNXZKTTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-7-9-17(10-8-16)11-12-20(23)21-18-5-4-6-19(15-18)22-13-2-3-14-26(22,24)25/h4-10,15H,2-3,11-14H2,1H3,(H,21,23).
What are the key properties of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 372.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110303569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).