N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C16H23N3O2S — CID 119585948

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCC(C)CC(CN)NC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C16H23N3O2S/c1-11(2)7-12(8-17)18-15(20)9-19-13-5-3-4-6-14(13)22-10-16(19)21/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20)
InChIKeyNEYLWRMPASUORB-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.61
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 119585948) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID119585948
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCC(C)CC(CN)NC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C16H23N3O2S/c1-11(2)7-12(8-17)18-15(20)9-19-13-5-3-4-6-14(13)22-10-16(19)21/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20)
InChIKeyNEYLWRMPASUORB-UHFFFAOYSA-N
XLogP1.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119665475
N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 120508487
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30997351
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 18196027
N-butan-2-yl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanamide
CID 71936370
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673616
N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119587577
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55961677
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-[3-(2-methylpropoxy)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51218542
N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18131651
2-(3-oxo-1,4-benzothiazin-4-yl)-N-prop-2-ynylacetamide
CID 18110081

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 119585948) is N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is CC(C)CC(CN)NC(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is NEYLWRMPASUORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(2)7-12(8-17)18-15(20)9-19-13-5-3-4-6-14(13)22-10-16(19)21/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 321.45 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 119585948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).