N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide

C18H19NO3S — CID 77085411

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H19NO3S/c20-18(19-12-14-10-11-23(21,22)13-14)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,19,20)
InChIKeyJTCKUZIOJDTCBK-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.52
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide

N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide (PubChem CID 77085411) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide
PubChem CID77085411
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H19NO3S/c20-18(19-12-14-10-11-23(21,22)13-14)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,19,20)
InChIKeyJTCKUZIOJDTCBK-UHFFFAOYSA-N
XLogP2.52
TPSA63.24 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 94021918
2-(3-aminoprop-1-ynyl)-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 62131826
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 94006282
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylbenzamide
CID 62238235
5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide
CID 70748000
N-[(1,1-dioxothiolan-3-yl)methyl]-3-hydroxybenzamide
CID 62131621
5-bromo-2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156896
4-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-fluorobenzamide
CID 94006526
2-(3-bromophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 60507504
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 47156864
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylsulfanylacetamide
CID 47156935

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide (CID 77085411) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide is O=C(NCC1CCS(=O)(=O)C1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide?
The InChIKey is JTCKUZIOJDTCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-18(19-12-14-10-11-23(21,22)13-14)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,19,20).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide has a molecular weight of 329.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide is sourced from PubChem (CID 77085411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).