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

C15H14FNO3S2 — CID 94815316

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1sccc1-c1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S2/c16-11-3-1-10(2-4-11)13-5-7-21-14(13)15(18)17-12-6-8-22(19,20)9-12/h1-5,7,12H,6,8-9H2,(H,17,18)/t12-/m0/s1
InChIKeyVYGGJPCFNFNZIN-LBPRGKRZSA-N
MW339.41 g/mol
LogP2.47
Rot. Bonds3

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

N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 94815316) has the molecular formula C15H14FNO3S2 and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID94815316
Molecular FormulaC15H14FNO3S2
Molecular Weight339.41 g/mol
Exact Mass339.04
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1sccc1-c1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S2/c16-11-3-1-10(2-4-11)13-5-7-21-14(13)15(18)17-12-6-8-22(19,20)9-12/h1-5,7,12H,6,8-9H2,(H,17,18)/t12-/m0/s1
InChIKeyVYGGJPCFNFNZIN-LBPRGKRZSA-N
XLogP2.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide
CID 95574609
N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
CID 60511869
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 121499202
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)urea
CID 7236834
N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 46450716
N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide
CID 110852734
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591206
N'-(1,1-dioxothiolan-3-yl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526868
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41075355
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
methyl 3-(4-fluorophenyl)thiophene-2-carboxylate
CID 90686203

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide (CID 94815316) is N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1sccc1-c1ccc(F)cc1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is VYGGJPCFNFNZIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14FNO3S2/c16-11-3-1-10(2-4-11)13-5-7-21-14(13)15(18)17-12-6-8-22(19,20)9-12/h1-5,7,12H,6,8-9H2,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 94815316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).