N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide

C17H18FN3O3S — CID 16953578

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ncnc2c1CCC2
InChIInChI=1S/C17H18FN3O3S/c18-12-6-8-13(9-7-12)25(23,24)10-2-5-16(22)21-17-14-3-1-4-15(14)19-11-20-17/h6-9,11H,1-5,10H2,(H,19,20,21,22)
InChIKeyCRBIWZWIEYWZCV-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.30
Rot. Bonds6

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide (PubChem CID 16953578) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide
PubChem CID16953578
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ncnc2c1CCC2
InChIInChI=1S/C17H18FN3O3S/c18-12-6-8-13(9-7-12)25(23,24)10-2-5-16(22)21-17-14-3-1-4-15(14)19-11-20-17/h6-9,11H,1-5,10H2,(H,19,20,21,22)
InChIKeyCRBIWZWIEYWZCV-UHFFFAOYSA-N
XLogP2.30
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide (CID 16953578) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide is O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ncnc2c1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
The InChIKey is CRBIWZWIEYWZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-12-6-8-13(9-7-12)25(23,24)10-2-5-16(22)21-17-14-3-1-4-15(14)19-11-20-17/h6-9,11H,1-5,10H2,(H,19,20,21,22).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide has a molecular weight of 363.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonylbutanamide is sourced from PubChem (CID 16953578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).