N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide

C20H20N2O2S — CID 4156786

IUPACN-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCc1cccc(CN2C(=O)CSc3ccc(C(=O)NC4CC4)cc32)c1
InChIInChI=1S/C20H20N2O2S/c1-13-3-2-4-14(9-13)11-22-17-10-15(20(24)21-16-6-7-16)5-8-18(17)25-12-19(22)23/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,21,24)
InChIKeyOPBBEFFBPBQJBA-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.53
Rot. Bonds4

About N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide

N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 4156786) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID4156786
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCc1cccc(CN2C(=O)CSc3ccc(C(=O)NC4CC4)cc32)c1
InChIInChI=1S/C20H20N2O2S/c1-13-3-2-4-14(9-13)11-22-17-10-15(20(24)21-16-6-7-16)5-8-18(17)25-12-19(22)23/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,21,24)
InChIKeyOPBBEFFBPBQJBA-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide (CID 4156786) is N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide is Cc1cccc(CN2C(=O)CSc3ccc(C(=O)NC4CC4)cc32)c1.
What is the InChIKey of N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is OPBBEFFBPBQJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13-3-2-4-14(9-13)11-22-17-10-15(20(24)21-16-6-7-16)5-8-18(17)25-12-19(22)23/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,21,24).
What are the key properties of N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4156786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).