N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide

C15H12ClNO3S2 — CID 2982560

IUPACN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C15H12ClNO3S2/c16-11-3-5-12(6-4-11)17(13-7-9-22(19,20)10-13)15(18)14-2-1-8-21-14/h1-9,13H,10H2
InChIKeySOSWEXPCAYXZHC-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.36
Rot. Bonds3

About N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide

N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide (PubChem CID 2982560) has the molecular formula C15H12ClNO3S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide
PubChem CID2982560
Molecular FormulaC15H12ClNO3S2
Molecular Weight353.85 g/mol
Exact Mass352.99
IUPAC NameN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C15H12ClNO3S2/c16-11-3-5-12(6-4-11)17(13-7-9-22(19,20)10-13)15(18)14-2-1-8-21-14/h1-9,13H,10H2
InChIKeySOSWEXPCAYXZHC-UHFFFAOYSA-N
XLogP3.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 40505382
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide
CID 2981379
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(trifluoromethyl)benzamide
CID 27545952
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
CID 40505385
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-ethoxybenzamide
CID 40505378
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylbenzamide
CID 1382277
3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide
CID 7152304
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 40505743
N-(4-bromophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 2228824
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)benzamide
CID 40642888
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-phenylbenzamide
CID 3111985
2-(4-chlorophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-N-(4-methylphenyl)propanamide
CID 20881929

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide (CID 2982560) is N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide is O=C(c1cccs1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide?
The InChIKey is SOSWEXPCAYXZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3S2/c16-11-3-5-12(6-4-11)17(13-7-9-22(19,20)10-13)15(18)14-2-1-8-21-14/h1-9,13H,10H2.
What are the key properties of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide?
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2982560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).