N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C19H18N2O3S — CID 18115280

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NC1CCOc2ccccc21
InChIInChI=1S/C19H18N2O3S/c22-18(20-14-9-10-24-16-7-3-1-5-13(14)16)11-21-15-6-2-4-8-17(15)25-12-19(21)23/h1-8,14H,9-12H2,(H,20,22)
InChIKeyIADRVHKHCJMVFZ-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.77
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 18115280) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID18115280
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NC1CCOc2ccccc21
InChIInChI=1S/C19H18N2O3S/c22-18(20-14-9-10-24-16-7-3-1-5-13(14)16)11-21-15-6-2-4-8-17(15)25-12-19(21)23/h1-8,14H,9-12H2,(H,20,22)
InChIKeyIADRVHKHCJMVFZ-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 55687411
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46970464
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 42897100
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 95632580
N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119609714
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 55379612
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18146133
2-(4-aminopiperidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide;hydrochloride
CID 119907719
N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18131651
2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18193012
N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 97083828
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 18115280) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is IADRVHKHCJMVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-18(20-14-9-10-24-16-7-3-1-5-13(14)16)11-21-15-6-2-4-8-17(15)25-12-19(21)23/h1-8,14H,9-12H2,(H,20,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 354.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 18115280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).