N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide

C16H16FNO3S2 — CID 2992282

IUPACN-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16FNO3S2/c17-13-5-3-12(4-6-13)10-18(14-7-9-23(20,21)11-14)16(19)15-2-1-8-22-15/h1-6,8,14H,7,9-11H2
InChIKeyAKPDKRGNMZIPKX-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.72
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 2992282) has the molecular formula C16H16FNO3S2 and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
PubChem CID2992282
Molecular FormulaC16H16FNO3S2
Molecular Weight353.44 g/mol
Exact Mass353.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16FNO3S2/c17-13-5-3-12(4-6-13)10-18(14-7-9-23(20,21)11-14)16(19)15-2-1-8-22-15/h1-6,8,14H,7,9-11H2
InChIKeyAKPDKRGNMZIPKX-UHFFFAOYSA-N
XLogP2.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide (CID 2992282) is N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is AKPDKRGNMZIPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S2/c17-13-5-3-12(4-6-13)10-18(14-7-9-23(20,21)11-14)16(19)15-2-1-8-22-15/h1-6,8,14H,7,9-11H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 2992282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).