4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide

C20H22N2O3S2 — CID 1431160

IUPAC4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(N(C2=NCCCS2)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H22N2O3S2/c1-3-16-5-9-18(10-6-16)22(20-21-13-4-14-26-20)27(24,25)19-11-7-17(8-12-19)15(2)23/h5-12H,3-4,13-14H2,1-2H3
InChIKeyPPWLQZMCGVQNJU-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.14
Rot. Bonds5

About 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide

4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide (PubChem CID 1431160) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
PubChem CID1431160
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC Name4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(N(C2=NCCCS2)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H22N2O3S2/c1-3-16-5-9-18(10-6-16)22(20-21-13-4-14-26-20)27(24,25)19-11-7-17(8-12-19)15(2)23/h5-12H,3-4,13-14H2,1-2H3
InChIKeyPPWLQZMCGVQNJU-UHFFFAOYSA-N
XLogP4.14
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide (CID 1431160) is 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide is CCc1ccc(N(C2=NCCCS2)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide?
The InChIKey is PPWLQZMCGVQNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-3-16-5-9-18(10-6-16)22(20-21-13-4-14-26-20)27(24,25)19-11-7-17(8-12-19)15(2)23/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide?
4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide has a molecular weight of 402.54 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 1431160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).