N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H17N3O3S — CID 55753946

IUPACN-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C18H17N3O3S/c1-2-19-17(23)11-3-6-13(7-4-11)20-18(24)12-5-8-15-14(9-12)21-16(22)10-25-15/h3-9H,2,10H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyJHWOYZNTARSALB-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.73
Rot. Bonds4

About N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 55753946) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID55753946
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C18H17N3O3S/c1-2-19-17(23)11-3-6-13(7-4-11)20-18(24)12-5-8-15-14(9-12)21-16(22)10-25-15/h3-9H,2,10H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyJHWOYZNTARSALB-UHFFFAOYSA-N
XLogP2.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2453316
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55784088
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7922294
4-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 31722234
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
3-oxo-N-(4-pyrrolidin-1-ylsulfanylphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 162521027
N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42009236

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 55753946) is N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCNC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1.
What is the InChIKey of N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is JHWOYZNTARSALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-2-19-17(23)11-3-6-13(7-4-11)20-18(24)12-5-8-15-14(9-12)21-16(22)10-25-15/h3-9H,2,10H2,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 55753946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).