N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide

C31H39N5O4S — CID 45489060

IUPACN-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide
SMILESCC(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N(CCN1CCOCC1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C31H39N5O4S/c1-26(36(21-16-33-22-24-40-25-23-33)41(38,39)29-14-8-9-15-32-29)31(37)35-19-17-34(18-20-35)30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-15,26,30H,16-25H2,1H3
InChIKeySDODJOIKQGREGK-UHFFFAOYSA-N
MW577.75 g/mol
LogP2.73
Rot. Bonds10

About N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide

N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide (PubChem CID 45489060) has the molecular formula C31H39N5O4S and a molecular weight of 577.75 g/mol. Its IUPAC name is N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide
PubChem CID45489060
Molecular FormulaC31H39N5O4S
Molecular Weight577.75 g/mol
Exact Mass577.27
IUPAC NameN-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide
SMILESCC(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N(CCN1CCOCC1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C31H39N5O4S/c1-26(36(21-16-33-22-24-40-25-23-33)41(38,39)29-14-8-9-15-32-29)31(37)35-19-17-34(18-20-35)30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-15,26,30H,16-25H2,1H3
InChIKeySDODJOIKQGREGK-UHFFFAOYSA-N
XLogP2.73
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.75
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide
CID 10461946
N-[(2S)-3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)-1-oxopropan-2-yl]-4-[[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide
CID 44377137
(R)-4-((1-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazin-1-ylsulfonyl)phenyl)cyclopropyl)methyl)morpholine
CID 44565029
4-fluoro-N-[(2S)-1-[[6-(2-morpholin-4-ylethylsulfamoyl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 156160147
4-fluoro-N-[(2S)-1-[[6-(3-morpholin-4-ylpropylsulfamoyl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 156160148
N1-(pyridin-4-ylmethyl)-N2-((3-tosyl-1,3-oxazinan-2-yl)methyl)oxalamide
CID 12005845
N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide
CID 3240237
N-{2-[4-(Diphenylmethyl)piperazin-1-YL]-2-oxoethyl}-N-[2-(morpholin-4-YL)ethyl]pyridine-2-sulfonamide
CID 45489207
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 162653256
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-1-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)propan-1-one
CID 162658962
N1-(pyridin-3-ylmethyl)-N2-((3-tosyl-1,3-oxazinan-2-yl)methyl)oxalamide
CID 12005835
1-{[4-(Morpholin-4-ylsulfonyl)phenyl]sulfonyl}-2-(3-pyridyl)piperidine
CID 3466813

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide (CID 45489060) is N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide is CC(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N(CCN1CCOCC1)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
The InChIKey is SDODJOIKQGREGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O4S/c1-26(36(21-16-33-22-24-40-25-23-33)41(38,39)29-14-8-9-15-32-29)31(37)35-19-17-34(18-20-35)30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-15,26,30H,16-25H2,1H3.
What are the key properties of N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide has a molecular weight of 577.75 g/mol, XLogP of 2.73, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 45489060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).