N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C18H20N2O2S — CID 5082267

IUPACN-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)N(C)CCS3)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-22-15-7-5-14(6-8-15)19-18(21)13-4-9-17-16(12-13)20(2)10-11-23-17/h4-9,12H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyPAVVBCVWWSWKJE-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.88
Rot. Bonds4

About N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 5082267) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID5082267
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)N(C)CCS3)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-22-15-7-5-14(6-8-15)19-18(21)13-4-9-17-16(12-13)20(2)10-11-23-17/h4-9,12H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyPAVVBCVWWSWKJE-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 5082267) is N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)N(C)CCS3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is PAVVBCVWWSWKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-22-15-7-5-14(6-8-15)19-18(21)13-4-9-17-16(12-13)20(2)10-11-23-17/h4-9,12H,3,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 5082267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).