N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide

C23H30N2O3S — CID 132664679

IUPACN-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCC(NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H30N2O3S/c1-17(18-10-12-20(13-11-18)23(2,3)4)24-22(26)19-8-7-9-21(16-19)25-14-5-6-15-29(25,27)28/h7-13,16-17H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyRMMZUMVNDINZPT-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.41
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide

N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 132664679) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID132664679
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCC(NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H30N2O3S/c1-17(18-10-12-20(13-11-18)23(2,3)4)24-22(26)19-8-7-9-21(16-19)25-14-5-6-15-29(25,27)28/h7-13,16-17H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyRMMZUMVNDINZPT-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18591757
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 42333076
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25493244
3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 110306771
N-[1-(3,4-dimethylphenyl)propyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132661357
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55693559
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
CID 126795841
3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301682

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide (CID 132664679) is N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide is CC(NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is RMMZUMVNDINZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17(18-10-12-20(13-11-18)23(2,3)4)24-22(26)19-8-7-9-21(16-19)25-14-5-6-15-29(25,27)28/h7-13,16-17H,5-6,14-15H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide?
N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 414.57 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 132664679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).