3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide

C17H17NO4S2 — CID 121499202

IUPAC3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCC(=O)c1sccc1-c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H17NO4S2/c1-11(19)16-15(5-7-23-16)12-3-2-4-13(9-12)17(20)18-14-6-8-24(21,22)10-14/h2-5,7,9,14H,6,8,10H2,1H3,(H,18,20)
InChIKeyKUDCGDPYVLRSGM-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.53
Rot. Bonds4

About 3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide

3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 121499202) has the molecular formula C17H17NO4S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID121499202
Molecular FormulaC17H17NO4S2
Molecular Weight363.46 g/mol
Exact Mass363.06
IUPAC Name3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCC(=O)c1sccc1-c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H17NO4S2/c1-11(19)16-15(5-7-23-16)12-3-2-4-13(9-12)17(20)18-14-6-8-24(21,22)10-14/h2-5,7,9,14H,6,8,10H2,1H3,(H,18,20)
InChIKeyKUDCGDPYVLRSGM-UHFFFAOYSA-N
XLogP2.53
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide
CID 95574609
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
CID 95741050
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide
CID 94815316
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-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109055580
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
3-N-(1,1-dioxothiolan-3-yl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109055570
3-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907236

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide (CID 121499202) is 3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide is CC(=O)c1sccc1-c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is KUDCGDPYVLRSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S2/c1-11(19)16-15(5-7-23-16)12-3-2-4-13(9-12)17(20)18-14-6-8-24(21,22)10-14/h2-5,7,9,14H,6,8,10H2,1H3,(H,18,20).
What are the key properties of 3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide?
3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 363.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 121499202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).