N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide

C25H33N3O5S — CID 55612850

IUPACN-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C25H33N3O5S/c1-25(2,20-6-4-3-5-7-20)19-26-24(29)22-18-21(34(30,31)28-12-16-33-17-13-28)8-9-23(22)27-10-14-32-15-11-27/h3-9,18H,10-17,19H2,1-2H3,(H,26,29)
InChIKeyUITZPNVMRORRKX-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.25
Rot. Bonds7

About N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide

N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55612850) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55612850
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C25H33N3O5S/c1-25(2,20-6-4-3-5-7-20)19-26-24(29)22-18-21(34(30,31)28-12-16-33-17-13-28)8-9-23(22)27-10-14-32-15-11-27/h3-9,18H,10-17,19H2,1-2H3,(H,26,29)
InChIKeyUITZPNVMRORRKX-UHFFFAOYSA-N
XLogP2.25
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide
CID 55360382
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4828738
5-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 25361107
5-morpholin-4-ylsulfonyl-N-naphthalen-1-yl-2-piperidin-1-ylbenzamide
CID 26087225
phenyl 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 8765391
N-(2,2-diphenylethyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 17415944
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 100507560
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide (CID 55612850) is N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide is CC(C)(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UITZPNVMRORRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-25(2,20-6-4-3-5-7-20)19-26-24(29)22-18-21(34(30,31)28-12-16-33-17-13-28)8-9-23(22)27-10-14-32-15-11-27/h3-9,18H,10-17,19H2,1-2H3,(H,26,29).
What are the key properties of N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide?
N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 487.62 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55612850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).