N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide

C18H22N6O3S2 — CID 86819250

IUPACN-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2c(C#N)cnn2CCC#N)s1
InChIInChI=1S/C18H22N6O3S2/c1-18(2,3)17(25)21-9-7-14-5-6-15(28-14)29(26,27)23-16-13(11-20)12-22-24(16)10-4-8-19/h5-6,12,23H,4,7,9-10H2,1-3H3,(H,21,25)
InChIKeyJCFMFPRXUWHPOV-UHFFFAOYSA-N
MW434.55 g/mol
LogP2.24
Rot. Bonds8

About N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 86819250) has the molecular formula C18H22N6O3S2 and a molecular weight of 434.55 g/mol. Its IUPAC name is N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID86819250
Molecular FormulaC18H22N6O3S2
Molecular Weight434.55 g/mol
Exact Mass434.12
IUPAC NameN-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2c(C#N)cnn2CCC#N)s1
InChIInChI=1S/C18H22N6O3S2/c1-18(2,3)17(25)21-9-7-14-5-6-15(28-14)29(26,27)23-16-13(11-20)12-22-24(16)10-4-8-19/h5-6,12,23H,4,7,9-10H2,1-3H3,(H,21,25)
InChIKeyJCFMFPRXUWHPOV-UHFFFAOYSA-N
XLogP2.24
TPSA140.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide (CID 86819250) is N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2c(C#N)cnn2CCC#N)s1.
What is the InChIKey of N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is JCFMFPRXUWHPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S2/c1-18(2,3)17(25)21-9-7-14-5-6-15(28-14)29(26,27)23-16-13(11-20)12-22-24(16)10-4-8-19/h5-6,12,23H,4,7,9-10H2,1-3H3,(H,21,25).
What are the key properties of N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 434.55 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 86819250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).