4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C19H19FN2O2S — CID 25234216

IUPAC4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CCS2
InChIInChI=1S/C19H19FN2O2S/c1-12(2)21-18(23)14-5-8-17-16(11-14)22(9-10-25-17)19(24)13-3-6-15(20)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)
InChIKeyZWGNLDMYWGEGAD-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.72
Rot. Bonds3

About 4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 25234216) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID25234216
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CCS2
InChIInChI=1S/C19H19FN2O2S/c1-12(2)21-18(23)14-5-8-17-16(11-14)22(9-10-25-17)19(24)13-3-6-15(20)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)
InChIKeyZWGNLDMYWGEGAD-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 25234216) is 4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CC(C)NC(=O)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CCS2.
What is the InChIKey of 4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is ZWGNLDMYWGEGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-12(2)21-18(23)14-5-8-17-16(11-14)22(9-10-25-17)19(24)13-3-6-15(20)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-N-propan-2-yl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 25234216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).