N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide

C22H18N2O2S — CID 55555042

IUPACN-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCSc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C22H18N2O2S/c25-21(16-6-2-1-3-7-16)23-18-12-10-17(11-13-18)22(26)24-14-15-27-20-9-5-4-8-19(20)24/h1-13H,14-15H2,(H,23,25)
InChIKeyUGVUSYJVZPPTAC-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.69
Rot. Bonds3

About N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide

N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide (PubChem CID 55555042) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide
PubChem CID55555042
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCSc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C22H18N2O2S/c25-21(16-6-2-1-3-7-16)23-18-12-10-17(11-13-18)22(26)24-14-15-27-20-9-5-4-8-19(20)24/h1-13H,14-15H2,(H,23,25)
InChIKeyUGVUSYJVZPPTAC-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]-2-methylpropanamide
CID 39095283
(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxyphenyl)methanone
CID 17497583
2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone
CID 47005086
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 56782767
4-phenyl-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 139710002

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide (CID 55555042) is N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCSc3ccccc32)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide?
The InChIKey is UGVUSYJVZPPTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-21(16-6-2-1-3-7-16)23-18-12-10-17(11-13-18)22(26)24-14-15-27-20-9-5-4-8-19(20)24/h1-13H,14-15H2,(H,23,25).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide?
N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide has a molecular weight of 374.47 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55555042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).