N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide

C21H28N4O4S — CID 71795193

IUPACN-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)NCCn2cnc(C3CCCC3)cc2=O)cc1
InChIInChI=1S/C21H28N4O4S/c1-15(2)21(27)24-17-7-9-18(10-8-17)30(28,29)23-11-12-25-14-22-19(13-20(25)26)16-5-3-4-6-16/h7-10,13-16,23H,3-6,11-12H2,1-2H3,(H,24,27)
InChIKeyZJRTXYZZDPTWFP-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.47
Rot. Bonds8

About N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide

N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 71795193) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide
PubChem CID71795193
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)NCCn2cnc(C3CCCC3)cc2=O)cc1
InChIInChI=1S/C21H28N4O4S/c1-15(2)21(27)24-17-7-9-18(10-8-17)30(28,29)23-11-12-25-14-22-19(13-20(25)26)16-5-3-4-6-16/h7-10,13-16,23H,3-6,11-12H2,1-2H3,(H,24,27)
InChIKeyZJRTXYZZDPTWFP-UHFFFAOYSA-N
XLogP2.47
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
CID 71795178
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 121120319
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide
CID 121120312
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 121120599
N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide
CID 33145606
2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 122263675
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide
CID 121119981
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 121120501
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 121120374

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide (CID 71795193) is N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCn2cnc(C3CCCC3)cc2=O)cc1.
What is the InChIKey of N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is ZJRTXYZZDPTWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-15(2)21(27)24-17-7-9-18(10-8-17)30(28,29)23-11-12-25-14-22-19(13-20(25)26)16-5-3-4-6-16/h7-10,13-16,23H,3-6,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide?
N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 432.55 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 71795193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).