N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide

C18H15BrN2O2S — CID 71681053

IUPACN-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1nc2ccc(Br)cc2c(=O)s1
InChIInChI=1S/C18H15BrN2O2S/c19-13-9-10-15-14(11-13)17(23)24-18(20-15)21-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,20,21,22)
InChIKeyCHIDPRFFMYMGQG-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.38
Rot. Bonds5

About N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide

N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide (PubChem CID 71681053) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
PubChem CID71681053
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC NameN-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1nc2ccc(Br)cc2c(=O)s1
InChIInChI=1S/C18H15BrN2O2S/c19-13-9-10-15-14(11-13)17(23)24-18(20-15)21-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,20,21,22)
InChIKeyCHIDPRFFMYMGQG-UHFFFAOYSA-N
XLogP4.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide
CID 71681203
4-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 16823694
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(1H-indol-3-yl)butanamide
CID 20968977
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
CID 71683092
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354
N-(6-bromo-1,3-benzothiazol-2-yl)undecanamide
CID 3680692
N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3315961
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(2-phenylethoxy)butanamide
CID 55832376

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The IUPAC name of N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide (CID 71681053) is N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The canonical SMILES for N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1nc2ccc(Br)cc2c(=O)s1.
What is the InChIKey of N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The InChIKey is CHIDPRFFMYMGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c19-13-9-10-15-14(11-13)17(23)24-18(20-15)21-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,20,21,22).
What are the key properties of N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide has a molecular weight of 403.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 71681053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).