N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H15ClN2O2S2 — CID 46656428

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NC3CCSc4ccc(Cl)cc43)cc2N1
InChIInChI=1S/C18H15ClN2O2S2/c19-11-2-4-15-12(8-11)13(5-6-24-15)21-18(23)10-1-3-16-14(7-10)20-17(22)9-25-16/h1-4,7-8,13H,5-6,9H2,(H,20,22)(H,21,23)
InChIKeyPOXXYRBIJVXPPX-UHFFFAOYSA-N
MW390.92 g/mol
LogP4.35
Rot. Bonds2

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 46656428) has the molecular formula C18H15ClN2O2S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID46656428
Molecular FormulaC18H15ClN2O2S2
Molecular Weight390.92 g/mol
Exact Mass390.03
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NC3CCSc4ccc(Cl)cc43)cc2N1
InChIInChI=1S/C18H15ClN2O2S2/c19-11-2-4-15-12(8-11)13(5-6-24-15)21-18(23)10-1-3-16-14(7-10)20-17(22)9-25-16/h1-4,7-8,13H,5-6,9H2,(H,20,22)(H,21,23)
InChIKeyPOXXYRBIJVXPPX-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
CID 17484910
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 103751180
cis-(1R,3S)-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677689
N-[2-(2,4-dichlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4857980
3-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468668
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31692872
5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
CID 25400960
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 46649804
(2S)-N-[3-[[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 25469625

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 46656428) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)NC3CCSc4ccc(Cl)cc43)cc2N1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is POXXYRBIJVXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S2/c19-11-2-4-15-12(8-11)13(5-6-24-15)21-18(23)10-1-3-16-14(7-10)20-17(22)9-25-16/h1-4,7-8,13H,5-6,9H2,(H,20,22)(H,21,23).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 390.92 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 46656428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).