N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C19H21N3O5S3 — CID 42928706

IUPACN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C19H21N3O5S3/c23-17(11-16-19(24)21-14-3-1-2-4-15(14)29-16)20-12-13-5-6-18(28-13)30(25,26)22-7-9-27-10-8-22/h1-6,16H,7-12H2,(H,20,23)(H,21,24)
InChIKeyZQYQPLIMONHLJK-UHFFFAOYSA-N
MW467.59 g/mol
LogP1.89
Rot. Bonds6

About N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 42928706) has the molecular formula C19H21N3O5S3 and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID42928706
Molecular FormulaC19H21N3O5S3
Molecular Weight467.59 g/mol
Exact Mass467.06
IUPAC NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C19H21N3O5S3/c23-17(11-16-19(24)21-14-3-1-2-4-15(14)29-16)20-12-13-5-6-18(28-13)30(25,26)22-7-9-27-10-8-22/h1-6,16H,7-12H2,(H,20,23)(H,21,24)
InChIKeyZQYQPLIMONHLJK-UHFFFAOYSA-N
XLogP1.89
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4853018
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 2550456
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55547756
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide
CID 55758321
2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 55843835
N-(1-methylpiperidin-4-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 30837864
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9451688

Frequently Asked Questions

What is the IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 42928706) is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is ZQYQPLIMONHLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S3/c23-17(11-16-19(24)21-14-3-1-2-4-15(14)29-16)20-12-13-5-6-18(28-13)30(25,26)22-7-9-27-10-8-22/h1-6,16H,7-12H2,(H,20,23)(H,21,24).
What are the key properties of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 467.59 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 42928706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).