N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

C20H14N2O3S2 — CID 35875668

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C1CSc2ccc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)cc2N1
InChIInChI=1S/C20H14N2O3S2/c23-18-10-26-16-6-5-12(8-14(16)22-18)21-20(24)17-7-11-9-25-15-4-2-1-3-13(15)19(11)27-17/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIKeyKYFNJGWCTVWEBC-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.60
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 35875668) has the molecular formula C20H14N2O3S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID35875668
Molecular FormulaC20H14N2O3S2
Molecular Weight394.48 g/mol
Exact Mass394.04
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C1CSc2ccc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)cc2N1
InChIInChI=1S/C20H14N2O3S2/c23-18-10-26-16-6-5-12(8-14(16)22-18)21-20(24)17-7-11-9-25-15-4-2-1-3-13(15)19(11)27-17/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIKeyKYFNJGWCTVWEBC-UHFFFAOYSA-N
XLogP4.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 35875668) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is O=C1CSc2ccc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is KYFNJGWCTVWEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S2/c23-18-10-26-16-6-5-12(8-14(16)22-18)21-20(24)17-7-11-9-25-15-4-2-1-3-13(15)19(11)27-17/h1-8H,9-10H2,(H,21,24)(H,22,23).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 35875668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).