N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C20H24N4O3S — CID 16953507

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4c3CCC4)cc2)CC1
InChIInChI=1S/C20H24N4O3S/c1-14-9-11-24(12-10-14)28(26,27)16-7-5-15(6-8-16)20(25)23-19-17-3-2-4-18(17)21-13-22-19/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,22,23,25)
InChIKeyRVNRNEYWXSYADE-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.64
Rot. Bonds4

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 16953507) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID16953507
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4c3CCC4)cc2)CC1
InChIInChI=1S/C20H24N4O3S/c1-14-9-11-24(12-10-14)28(26,27)16-7-5-15(6-8-16)20(25)23-19-17-3-2-4-18(17)21-13-22-19/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,22,23,25)
InChIKeyRVNRNEYWXSYADE-UHFFFAOYSA-N
XLogP2.64
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.64
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-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 16953507) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4c3CCC4)cc2)CC1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is RVNRNEYWXSYADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-14-9-11-24(12-10-14)28(26,27)16-7-5-15(6-8-16)20(25)23-19-17-3-2-4-18(17)21-13-22-19/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,22,23,25).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 2.64, 4 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-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 16953507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).