N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

C24H36N6O5S — CID 4832805

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H36N6O5S/c1-17(2)14-29(21-22(25)30(15-18(3)4)24(33)26-23(21)32)20(31)16-27-10-12-28(13-11-27)36(34,35)19-8-6-5-7-9-19/h5-9,17-18H,10-16,25H2,1-4H3,(H,26,32,33)
InChIKeyFFWSUMNELOAPAK-UHFFFAOYSA-N
MW520.66 g/mol
LogP0.77
Rot. Bonds9

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 4832805) has the molecular formula C24H36N6O5S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID4832805
Molecular FormulaC24H36N6O5S
Molecular Weight520.66 g/mol
Exact Mass520.25
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H36N6O5S/c1-17(2)14-29(21-22(25)30(15-18(3)4)24(33)26-23(21)32)20(31)16-27-10-12-28(13-11-27)36(34,35)19-8-6-5-7-9-19/h5-9,17-18H,10-16,25H2,1-4H3,(H,26,32,33)
InChIKeyFFWSUMNELOAPAK-UHFFFAOYSA-N
XLogP0.77
TPSA141.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 24687493
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CID 24819759
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CID 24980589
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CID 16258352
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CID 24980593
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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 4832805) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is FFWSUMNELOAPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O5S/c1-17(2)14-29(21-22(25)30(15-18(3)4)24(33)26-23(21)32)20(31)16-27-10-12-28(13-11-27)36(34,35)19-8-6-5-7-9-19/h5-9,17-18H,10-16,25H2,1-4H3,(H,26,32,33).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 520.66 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 4832805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).