N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C18H18N2O4S — CID 2938178

IUPACN-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESCC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C18H18N2O4S/c1-13(11-14-7-3-2-4-8-14)19-17(21)12-20-18(22)15-9-5-6-10-16(15)25(20,23)24/h2-10,13H,11-12H2,1H3,(H,19,21)
InChIKeyYNIQRSNRVWRIGG-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.58
Rot. Bonds5

About N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 2938178) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID2938178
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESCC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C18H18N2O4S/c1-13(11-14-7-3-2-4-8-14)19-17(21)12-20-18(22)15-9-5-6-10-16(15)25(20,23)24/h2-10,13H,11-12H2,1H3,(H,19,21)
InChIKeyYNIQRSNRVWRIGG-UHFFFAOYSA-N
XLogP1.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 2938178) is N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is CC(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O.
What is the InChIKey of N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is YNIQRSNRVWRIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-13(11-14-7-3-2-4-8-14)19-17(21)12-20-18(22)15-9-5-6-10-16(15)25(20,23)24/h2-10,13H,11-12H2,1H3,(H,19,21).
What are the key properties of N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2938178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).