N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C17H14N4O2S — CID 18103981

IUPACN-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nn1cnc2ccccc21
InChIInChI=1S/C17H14N4O2S/c22-16(19-21-11-18-12-5-1-2-6-13(12)21)9-20-14-7-3-4-8-15(14)24-10-17(20)23/h1-8,11H,9-10H2,(H,19,22)
InChIKeyPEMUTNFDTVTHBZ-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.25
Rot. Bonds3

About N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 18103981) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID18103981
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nn1cnc2ccccc21
InChIInChI=1S/C17H14N4O2S/c22-16(19-21-11-18-12-5-1-2-6-13(12)21)9-20-14-7-3-4-8-15(14)24-10-17(20)23/h1-8,11H,9-10H2,(H,19,22)
InChIKeyPEMUTNFDTVTHBZ-UHFFFAOYSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
N-(5-methyl-2-pyridinyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18106820
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865580
2-(3-oxo-1,4-benzothiazin-4-yl)-N-prop-2-ynylacetamide
CID 18110081
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195793
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 120508487
2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
CID 18162798
N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18126203
N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51195485

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 18103981) is N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)Nn1cnc2ccccc21.
What is the InChIKey of N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is PEMUTNFDTVTHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c22-16(19-21-11-18-12-5-1-2-6-13(12)21)9-20-14-7-3-4-8-15(14)24-10-17(20)23/h1-8,11H,9-10H2,(H,19,22).
What are the key properties of N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 338.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 18103981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).