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

C19H22N2O4S2 — CID 46283610

IUPAC4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc1
InChIInChI=1S/C19H22N2O4S2/c1-4-25-16-7-5-15(6-8-16)20(3)27(23,24)17-9-10-19-18(13-17)21(14(2)22)11-12-26-19/h5-10,13H,4,11-12H2,1-3H3
InChIKeyCVANMHFSCGELGG-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.37
Rot. Bonds5

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

4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide (PubChem CID 46283610) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
PubChem CID46283610
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc1
InChIInChI=1S/C19H22N2O4S2/c1-4-25-16-7-5-15(6-8-16)20(3)27(23,24)17-9-10-19-18(13-17)21(14(2)22)11-12-26-19/h5-10,13H,4,11-12H2,1-3H3
InChIKeyCVANMHFSCGELGG-UHFFFAOYSA-N
XLogP3.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-acetyl-N-(4-ethoxyphenyl)-N,2-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 92864532
5-acetyl-N-(2,5-diethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 53083633
4-acetyl-N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22549966
1-[6-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 46283508
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
4-acetyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 46283609
1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 46283552
4-acetyl-N-(4-acetylphenyl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22549916
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
N-(4-ethoxyphenyl)-N-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 46341343
ethyl 1-[(5-acetyl-3,4-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxylate
CID 20947045
4-acetyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22549985

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of 4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide (CID 46283610) is 4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for 4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide is CCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc1.
What is the InChIKey of 4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The InChIKey is CVANMHFSCGELGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-4-25-16-7-5-15(6-8-16)20(3)27(23,24)17-9-10-19-18(13-17)21(14(2)22)11-12-26-19/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of 4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide has a molecular weight of 406.53 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 46283610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).