N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C16H20N2O4S — CID 92756672

IUPACN-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCC1(C)OC[C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)O1
InChIInChI=1S/C16H20N2O4S/c1-16(2)21-9-10(22-16)8-17-14(19)7-13-15(20)18-11-5-3-4-6-12(11)23-13/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)(H,18,20)/t10-,13-/m1/s1
InChIKeyXTUWOYNOTGQPSA-ZWNOBZJWSA-N
MW336.41 g/mol
LogP1.76
Rot. Bonds4

About N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 92756672) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID92756672
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCC1(C)OC[C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)O1
InChIInChI=1S/C16H20N2O4S/c1-16(2)21-9-10(22-16)8-17-14(19)7-13-15(20)18-11-5-3-4-6-12(11)23-13/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)(H,18,20)/t10-,13-/m1/s1
InChIKeyXTUWOYNOTGQPSA-ZWNOBZJWSA-N
XLogP1.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

(2E)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 93292945
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid;N-(oxolan-2-ylmethyl)butanamide
CID 20980003
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9304215
N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 94798573
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9451688
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
N-[3-(N-methylanilino)propyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27753834
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 92756672) is N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is CC1(C)OC[C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)O1.
What is the InChIKey of N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is XTUWOYNOTGQPSA-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-16(2)21-9-10(22-16)8-17-14(19)7-13-15(20)18-11-5-3-4-6-12(11)23-13/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)(H,18,20)/t10-,13-/m1/s1.
What are the key properties of N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 92756672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).