N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

C18H19NO3S — CID 7198186

IUPACN-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(c1ccccc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H19NO3S/c20-18(16-9-5-2-6-10-16)19(13-15-7-3-1-4-8-15)17-11-12-23(21,22)14-17/h1-10,17H,11-14H2/t17-/m1/s1
InChIKeyWXBUUVXOMBNZQN-QGZVFWFLSA-N
MW329.42 g/mol
LogP2.52
Rot. Bonds4

About N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 7198186) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID7198186
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(c1ccccc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H19NO3S/c20-18(16-9-5-2-6-10-16)19(13-15-7-3-1-4-8-15)17-11-12-23(21,22)14-17/h1-10,17H,11-14H2/t17-/m1/s1
InChIKeyWXBUUVXOMBNZQN-QGZVFWFLSA-N
XLogP2.52
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591
N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 665750
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)benzamide
CID 8781843
N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 8781845
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-prop-2-enoxybenzamide
CID 7123214
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 40561453
N-benzyl-3-(difluoromethoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 8781850
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(naphthalen-1-ylmethyl)benzamide
CID 40851276
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propoxybenzamide
CID 7123222
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide
CID 7476902
N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 40643505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (CID 7198186) is N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is O=C(c1ccccc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is WXBUUVXOMBNZQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-18(16-9-5-2-6-10-16)19(13-15-7-3-1-4-8-15)17-11-12-23(21,22)14-17/h1-10,17H,11-14H2/t17-/m1/s1.
What are the key properties of N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 329.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 7198186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).