2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide

C28H37N3O3S — CID 134394843

IUPAC2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide
SMILESCS(=O)C(C)(CCN1CC=C(c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)CC1)C(N)=O
InChIInChI=1S/C28H37N3O3S/c1-28(27(29)32,35(2)33)13-16-30-14-11-26(12-15-30)25-9-7-24(8-10-25)23-5-3-22(4-6-23)21-31-17-19-34-20-18-31/h3-11H,12-21H2,1-2H3,(H2,29,32)
InChIKeyGLOCEDPCPYCPKE-UHFFFAOYSA-N
MW495.69 g/mol
LogP3.29
Rot. Bonds9

About 2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide

2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide (PubChem CID 134394843) has the molecular formula C28H37N3O3S and a molecular weight of 495.69 g/mol. Its IUPAC name is 2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide.

Molecular Properties

Compound Name2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide
PubChem CID134394843
Molecular FormulaC28H37N3O3S
Molecular Weight495.69 g/mol
Exact Mass495.26
IUPAC Name2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide
SMILESCS(=O)C(C)(CCN1CC=C(c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)CC1)C(N)=O
InChIInChI=1S/C28H37N3O3S/c1-28(27(29)32,35(2)33)13-16-30-14-11-26(12-15-30)25-9-7-24(8-10-25)23-5-3-22(4-6-23)21-31-17-19-34-20-18-31/h3-11H,12-21H2,1-2H3,(H2,29,32)
InChIKeyGLOCEDPCPYCPKE-UHFFFAOYSA-N
XLogP3.29
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-[4-(azetidin-1-ylsulfanyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-N-hydroxy-2-methyl-2-methylsulfinylbutanamide
CID 166697861
4-[4-[4-(2-cyclohexylethynyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-N-hydroxy-2-methyl-2-methylsulfinylbutanamide
CID 166697922
tert-butyl 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122603059
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030384
4-(morpholin-4-ylmethyl)-2-nitro-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide
CID 19092333
2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 68861466

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide?
The IUPAC name of 2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide (CID 134394843) is 2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide.
What is the SMILES notation for 2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide?
The canonical SMILES for 2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide is CS(=O)C(C)(CCN1CC=C(c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)CC1)C(N)=O.
What is the InChIKey of 2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide?
The InChIKey is GLOCEDPCPYCPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3S/c1-28(27(29)32,35(2)33)13-16-30-14-11-26(12-15-30)25-9-7-24(8-10-25)23-5-3-22(4-6-23)21-31-17-19-34-20-18-31/h3-11H,12-21H2,1-2H3,(H2,29,32).
What are the key properties of 2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide?
2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide has a molecular weight of 495.69 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfinyl-4-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanamide is sourced from PubChem (CID 134394843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).