N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide

C32H40N4O4S — CID 23110563

IUPACN-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
SMILESCCCC1CCN(c2ccccc2)C(=O)N1C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1
InChIInChI=1S/C32H40N4O4S/c1-3-7-28-20-23-35(27-8-5-4-6-9-27)32(37)36(28)29-18-21-34(22-19-29)24-25-10-14-30(15-11-25)40-31-16-12-26(13-17-31)33-41(2,38)39/h4-6,8-17,28-29,33H,3,7,18-24H2,1-2H3
InChIKeyUVKNWXQMIPCQOO-UHFFFAOYSA-N
MW576.76 g/mol
LogP6.32
Rot. Bonds10

About N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide

N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide (PubChem CID 23110563) has the molecular formula C32H40N4O4S and a molecular weight of 576.76 g/mol. Its IUPAC name is N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
PubChem CID23110563
Molecular FormulaC32H40N4O4S
Molecular Weight576.76 g/mol
Exact Mass576.28
IUPAC NameN-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
SMILESCCCC1CCN(c2ccccc2)C(=O)N1C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1
InChIInChI=1S/C32H40N4O4S/c1-3-7-28-20-23-35(27-8-5-4-6-9-27)32(37)36(28)29-18-21-34(22-19-29)24-25-10-14-30(15-11-25)40-31-16-12-26(13-17-31)33-41(2,38)39/h4-6,8-17,28-29,33H,3,7,18-24H2,1-2H3
InChIKeyUVKNWXQMIPCQOO-UHFFFAOYSA-N
XLogP6.32
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.76
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[4-[4-[[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
CID 67037740
N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide
CID 58688842
3-benzyl-1-ethyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038237
N-[4-[4-[[4-(butylamino)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
CID 58688850
3-benzyl-1-ethyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea;hydrochloride
CID 67038236
1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-3-phenylmethoxyurea;hydrochloride
CID 87244873
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 67037713
1-benzyl-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-pentylurea
CID 142677027
1,3-diethyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea;hydrochloride
CID 67037814
3-tert-butyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-propylurea
CID 67037854
1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-3-(oxan-4-yl)-1-phenylurea
CID 66814164
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 67037712

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide (CID 23110563) is N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide is CCCC1CCN(c2ccccc2)C(=O)N1C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide?
The InChIKey is UVKNWXQMIPCQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O4S/c1-3-7-28-20-23-35(27-8-5-4-6-9-27)32(37)36(28)29-18-21-34(22-19-29)24-25-10-14-30(15-11-25)40-31-16-12-26(13-17-31)33-41(2,38)39/h4-6,8-17,28-29,33H,3,7,18-24H2,1-2H3.
What are the key properties of N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide?
N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide has a molecular weight of 576.76 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 23110563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).