N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide

C17H17NO3S2 — CID 3239710

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccccc1N(C(=O)c1cccs1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H17NO3S2/c1-2-13-6-3-4-7-15(13)18(14-9-11-23(20,21)12-14)17(19)16-8-5-10-22-16/h3-11,14H,2,12H2,1H3
InChIKeyYQLDWBIGLBQWAP-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.27
Rot. Bonds4

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide (PubChem CID 3239710) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
PubChem CID3239710
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccccc1N(C(=O)c1cccs1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H17NO3S2/c1-2-13-6-3-4-7-15(13)18(14-9-11-23(20,21)12-14)17(19)16-8-5-10-22-16/h3-11,14H,2,12H2,1H3
InChIKeyYQLDWBIGLBQWAP-UHFFFAOYSA-N
XLogP3.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 137700027
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N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2811895
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
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4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 4963703
4-{[Methyl(3-methylphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 6486034
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide
CID 1398111
N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide
CID 42853214
2,3-dihydro-1H-indol-1-yl[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]methanone
CID 621938
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CID 673619

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide (CID 3239710) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide is CCc1ccccc1N(C(=O)c1cccs1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide?
The InChIKey is YQLDWBIGLBQWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c1-2-13-6-3-4-7-15(13)18(14-9-11-23(20,21)12-14)17(19)16-8-5-10-22-16/h3-11,14H,2,12H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 3239710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).