[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate

C32H42N4O5S — CID 46201908

IUPAC[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate
SMILESCCCc1cnc(N2CCC(C(=O)NS(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)(c3cccc(OC)c3)CC2)nc1
InChIInChI=1S/C32H42N4O5S/c1-7-10-24-20-33-31(34-21-24)36-17-15-32(16-18-36,25-11-8-12-26(19-25)40-6)30(37)35-42(38,39)41-29-27(22(2)3)13-9-14-28(29)23(4)5/h8-9,11-14,19-23H,7,10,15-18H2,1-6H3,(H,35,37)
InChIKeyIQWFXBLWVWKDMF-UHFFFAOYSA-N
MW594.78 g/mol
LogP5.66
Rot. Bonds11

About [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate

[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate (PubChem CID 46201908) has the molecular formula C32H42N4O5S and a molecular weight of 594.78 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate
PubChem CID46201908
Molecular FormulaC32H42N4O5S
Molecular Weight594.78 g/mol
Exact Mass594.29
IUPAC Name[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate
SMILESCCCc1cnc(N2CCC(C(=O)NS(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)(c3cccc(OC)c3)CC2)nc1
InChIInChI=1S/C32H42N4O5S/c1-7-10-24-20-33-31(34-21-24)36-17-15-32(16-18-36,25-11-8-12-26(19-25)40-6)30(37)35-42(38,39)41-29-27(22(2)3)13-9-14-28(29)23(4)5/h8-9,11-14,19-23H,7,10,15-18H2,1-6H3,(H,35,37)
InChIKeyIQWFXBLWVWKDMF-UHFFFAOYSA-N
XLogP5.66
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.78
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate with MolForge

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Related Compounds

CID 11668187
CID 11668187
CID 46202577
CID 46202577
CID 46201909
CID 46201909
CID 46202576
CID 46202576
CID 46206803
CID 46206803
CID 46206801
CID 46206801
CID 16190500
CID 16190500
CID 46201907
CID 46201907
CID 46201910
CID 46201910
CID 46202244
CID 46202244
CID 46202246
CID 46202246
CID 11689592
CID 11689592

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate?
The IUPAC name of [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate (CID 46201908) is [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate is CCCc1cnc(N2CCC(C(=O)NS(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)(c3cccc(OC)c3)CC2)nc1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate?
The InChIKey is IQWFXBLWVWKDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O5S/c1-7-10-24-20-33-31(34-21-24)36-17-15-32(16-18-36,25-11-8-12-26(19-25)40-6)30(37)35-42(38,39)41-29-27(22(2)3)13-9-14-28(29)23(4)5/h8-9,11-14,19-23H,7,10,15-18H2,1-6H3,(H,35,37).
What are the key properties of [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate?
[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate has a molecular weight of 594.78 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(5-propylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate is sourced from PubChem (CID 46201908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).