N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C19H19N3O4S — CID 35347666

IUPACN-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1NC(C)=O
InChIInChI=1S/C19H19N3O4S/c1-12(23)20-14-9-13(7-8-16(14)26-2)21-18(24)10-22-15-5-3-4-6-17(15)27-11-19(22)25/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRYJPCEGHWZPIMN-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.73
Rot. Bonds5

About N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 35347666) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID35347666
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1NC(C)=O
InChIInChI=1S/C19H19N3O4S/c1-12(23)20-14-9-13(7-8-16(14)26-2)21-18(24)10-22-15-5-3-4-6-17(15)27-11-19(22)25/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRYJPCEGHWZPIMN-UHFFFAOYSA-N
XLogP2.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51194798
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 39173650
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55480535
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 46551459
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51195005
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878129
N-(3,4-dimethoxyphenyl)-2-[(2R)-4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 98142818
N-(1H-indazol-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 36561663
N-(3-acetamidophenyl)-2-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 51568429
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195793

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 35347666) is N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is RYJPCEGHWZPIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12(23)20-14-9-13(7-8-16(14)26-2)21-18(24)10-22-15-5-3-4-6-17(15)27-11-19(22)25/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 35347666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).