N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide

C15H14N2O3S2 — CID 18587186

IUPACN-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C15H14N2O3S2/c1-10(2)22(19,20)13-5-3-11(4-6-13)14(18)17-15-12(9-16)7-8-21-15/h3-8,10H,1-2H3,(H,17,18)
InChIKeyNZIYAAFLDMELHO-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.05
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide

N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide (PubChem CID 18587186) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide
PubChem CID18587186
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C15H14N2O3S2/c1-10(2)22(19,20)13-5-3-11(4-6-13)14(18)17-15-12(9-16)7-8-21-15/h3-8,10H,1-2H3,(H,17,18)
InChIKeyNZIYAAFLDMELHO-UHFFFAOYSA-N
XLogP3.05
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2105110
N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 7656091
4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
CID 2137686
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
N-(3-cyanothiophen-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 7164210
N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2105108
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide (CID 18587186) is N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide?
The InChIKey is NZIYAAFLDMELHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-10(2)22(19,20)13-5-3-11(4-6-13)14(18)17-15-12(9-16)7-8-21-15/h3-8,10H,1-2H3,(H,17,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide?
N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 18587186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).