N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide

C15H15NO3S2 — CID 95574609

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1sccc1-c1ccccc1
InChIInChI=1S/C15H15NO3S2/c17-15(16-12-7-9-21(18,19)10-12)14-13(6-8-20-14)11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2,(H,16,17)/t12-/m0/s1
InChIKeyFTZXFDUHYQOUCK-LBPRGKRZSA-N
MW321.42 g/mol
LogP2.33
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide (PubChem CID 95574609) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide
PubChem CID95574609
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1sccc1-c1ccccc1
InChIInChI=1S/C15H15NO3S2/c17-15(16-12-7-9-21(18,19)10-12)14-13(6-8-20-14)11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2,(H,16,17)/t12-/m0/s1
InChIKeyFTZXFDUHYQOUCK-LBPRGKRZSA-N
XLogP2.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
CID 60511869
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide
CID 94815316
3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 121499202
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-5-phenylthiophene-2-carboxamide
CID 125418912
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 7047579
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41075355
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110389733
4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229187
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide (CID 95574609) is N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1sccc1-c1ccccc1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide?
The InChIKey is FTZXFDUHYQOUCK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15NO3S2/c17-15(16-12-7-9-21(18,19)10-12)14-13(6-8-20-14)11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.33, 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-phenylthiophene-2-carboxamide is sourced from PubChem (CID 95574609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).