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

C19H22N2O2S — CID 20886484

IUPACN-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc3c(c2)N(C)CCS3)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-23-16-7-4-14(5-8-16)13-20-19(22)15-6-9-18-17(12-15)21(2)10-11-24-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)
InChIKeyWHXGHROTGMPGTC-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.56
Rot. Bonds5

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

N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 20886484) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID20886484
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc3c(c2)N(C)CCS3)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-23-16-7-4-14(5-8-16)13-20-19(22)15-6-9-18-17(12-15)21(2)10-11-24-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)
InChIKeyWHXGHROTGMPGTC-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-[2-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876252
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 6622632
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
5-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 20854140
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
4-ethyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876387
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876365
3-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]benzamide
CID 53285754
(6aS)-N-[(4-ethoxyphenyl)methyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 92751386
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 20886484) is N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CCOc1ccc(CNC(=O)c2ccc3c(c2)N(C)CCS3)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is WHXGHROTGMPGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-23-16-7-4-14(5-8-16)13-20-19(22)15-6-9-18-17(12-15)21(2)10-11-24-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 20886484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).