N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C17H17N3O5S2 — CID 8000269

IUPACN-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1S(N)(=O)=O
InChIInChI=1S/C17H17N3O5S2/c1-25-12-7-6-10(8-15(12)27(18,23)24)19-16(21)9-14-17(22)20-11-4-2-3-5-13(11)26-14/h2-8,14H,9H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24)/t14-/m0/s1
InChIKeyWBOKMOUSASJBQV-AWEZNQCLSA-N
MW407.47 g/mol
LogP1.78
Rot. Bonds5

About N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 8000269) has the molecular formula C17H17N3O5S2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID8000269
Molecular FormulaC17H17N3O5S2
Molecular Weight407.47 g/mol
Exact Mass407.06
IUPAC NameN-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1S(N)(=O)=O
InChIInChI=1S/C17H17N3O5S2/c1-25-12-7-6-10(8-15(12)27(18,23)24)19-16(21)9-14-17(22)20-11-4-2-3-5-13(11)26-14/h2-8,14H,9H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24)/t14-/m0/s1
InChIKeyWBOKMOUSASJBQV-AWEZNQCLSA-N
XLogP1.78
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2242401
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 2622182
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1289338
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]benzamide
CID 55945590
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26877317
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
N-[2,5-dimethoxy-4-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]phenyl]benzamide
CID 41071626
N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9495359
2,2-dimethyl-N-[3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]propanamide
CID 55532332
N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 60574944

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 8000269) is N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is COc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is WBOKMOUSASJBQV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N3O5S2/c1-25-12-7-6-10(8-15(12)27(18,23)24)19-16(21)9-14-17(22)20-11-4-2-3-5-13(11)26-14/h2-8,14H,9H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24)/t14-/m0/s1.
What are the key properties of N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 8000269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).