N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C20H20N2O2S — CID 18131651

IUPACN-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NC(c1ccccc1)C1CC1
InChIInChI=1S/C20H20N2O2S/c23-18(21-20(15-10-11-15)14-6-2-1-3-7-14)12-22-16-8-4-5-9-17(16)25-13-19(22)24/h1-9,15,20H,10-13H2,(H,21,23)
InChIKeyAURNUQVWHKYZSJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.39
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 18131651) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID18131651
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NC(c1ccccc1)C1CC1
InChIInChI=1S/C20H20N2O2S/c23-18(21-20(15-10-11-15)14-6-2-1-3-7-14)12-22-16-8-4-5-9-17(16)25-13-19(22)24/h1-9,15,20H,10-13H2,(H,21,23)
InChIKeyAURNUQVWHKYZSJ-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30997351
N-[cyclopropyl(phenyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86914718
N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 120508487
(3S)-3-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 125146937
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18102286
N-butan-2-yl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanamide
CID 71936370
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 18196027
N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18167146
N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 119585948
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119665475
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55961677

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 18131651) is N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is AURNUQVWHKYZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-18(21-20(15-10-11-15)14-6-2-1-3-7-14)12-22-16-8-4-5-9-17(16)25-13-19(22)24/h1-9,15,20H,10-13H2,(H,21,23).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 18131651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).