2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide

C20H23N3O4S — CID 170718296

IUPAC2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide
SMILESCS(=O)(=O)/C=C/CNC(=O)c1cnc(C2CCCC2)nc1Oc1ccccc1
InChIInChI=1S/C20H23N3O4S/c1-28(25,26)13-7-12-21-19(24)17-14-22-18(15-8-5-6-9-15)23-20(17)27-16-10-3-2-4-11-16/h2-4,7,10-11,13-15H,5-6,8-9,12H2,1H3,(H,21,24)/b13-7+
InChIKeyHPOMOPILOABZGA-NTUHNPAUSA-N
MW401.49 g/mol
LogP3.21
Rot. Bonds7

About 2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide

2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide (PubChem CID 170718296) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide
PubChem CID170718296
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide
SMILESCS(=O)(=O)/C=C/CNC(=O)c1cnc(C2CCCC2)nc1Oc1ccccc1
InChIInChI=1S/C20H23N3O4S/c1-28(25,26)13-7-12-21-19(24)17-14-22-18(15-8-5-6-9-15)23-20(17)27-16-10-3-2-4-11-16/h2-4,7,10-11,13-15H,5-6,8-9,12H2,1H3,(H,21,24)/b13-7+
InChIKeyHPOMOPILOABZGA-NTUHNPAUSA-N
XLogP3.21
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyl-4-(3-fluorophenoxy)-N-(4-methylsulfonylbut-3-en-2-yl)pyrimidine-5-carboxamide
CID 174205429
2-[(1R,3S)-3-methylcyclopentyl]-N-[(E)-4-methylsulfonylbut-3-en-2-yl]-4-phenoxypyrimidine-5-carboxamide
CID 174204607
2-cyclopentyl-4-(2-methylphenoxy)-N-[(E)-4-methylsulfonylbut-3-en-2-yl]pyrimidine-5-carboxamide
CID 174204684
4-(2-chlorophenoxy)-2-cyclopentyl-N-(4-methylsulfonylbut-3-en-2-yl)pyrimidine-5-carboxamide
CID 174203934
2-cyclopentyl-4-(2-fluorophenoxy)-N-[(E)-4-methylsulfonylbut-3-en-2-yl]pyrimidine-5-carboxamide
CID 174202770
2-cyclopropyl-N-[(E)-4-cyclopropylsulfanylbut-3-en-2-yl]-4-phenoxypyrimidine-5-carboxamide
CID 170717916
2-cyclopentyl-4-methyl-N-(4-methylsulfonylbut-3-en-2-yl)-6-phenoxypyrimidine-5-carboxamide
CID 174201561
cyclopropane;2-(1,1-difluoroethyl)-N-[(E)-3-methylsulfanylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide
CID 176965550
4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
CID 170718007
2-cyclopentyl-4-cyclopentyloxy-N-(4-methylsulfonylbut-3-en-2-yl)pyrimidine-5-carboxamide
CID 174201609
2-tert-butyl-N-[(E,1S)-1-cyclobutyl-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide
CID 170718097
2-[cyclopropyl(difluoro)methyl]-N-[(E)-4-methylsulfonylbut-3-en-2-yl]-4-phenoxypyrimidine-5-carboxamide
CID 174208561

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide (CID 170718296) is 2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide is CS(=O)(=O)/C=C/CNC(=O)c1cnc(C2CCCC2)nc1Oc1ccccc1.
What is the InChIKey of 2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide?
The InChIKey is HPOMOPILOABZGA-NTUHNPAUSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-28(25,26)13-7-12-21-19(24)17-14-22-18(15-8-5-6-9-15)23-20(17)27-16-10-3-2-4-11-16/h2-4,7,10-11,13-15H,5-6,8-9,12H2,1H3,(H,21,24)/b13-7+.
What are the key properties of 2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide?
2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(E)-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide is sourced from PubChem (CID 170718296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).