(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone

C21H26N2O5S — CID 47913591

IUPAC(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
SMILESCC1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC(c2ccccc2)O1
InChIInChI=1S/C21H26N2O5S/c1-16-14-22(15-19(27-16)17-8-4-2-5-9-17)21(24)18-10-11-20(28-18)29(25,26)23-12-6-3-7-13-23/h2,4-5,8-11,16,19H,3,6-7,12-15H2,1H3
InChIKeyGHABWWFZVCXVHR-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.06
Rot. Bonds4

About (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone

(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone (PubChem CID 47913591) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
PubChem CID47913591
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
SMILESCC1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC(c2ccccc2)O1
InChIInChI=1S/C21H26N2O5S/c1-16-14-22(15-19(27-16)17-8-4-2-5-9-17)21(24)18-10-11-20(28-18)29(25,26)23-12-6-3-7-13-23/h2,4-5,8-11,16,19H,3,6-7,12-15H2,1H3
InChIKeyGHABWWFZVCXVHR-UHFFFAOYSA-N
XLogP3.06
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 52535688
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55950973
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine
CID 47983366
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914855
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996
[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea
CID 47914258
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
(2R,6R)-2-methyl-4-morpholin-4-ylsulfonyl-6-phenylmorpholine
CID 98786694

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone?
The IUPAC name of (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone (CID 47913591) is (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone.
What is the SMILES notation for (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone?
The canonical SMILES for (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone is CC1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC(c2ccccc2)O1.
What is the InChIKey of (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone?
The InChIKey is GHABWWFZVCXVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-16-14-22(15-19(27-16)17-8-4-2-5-9-17)21(24)18-10-11-20(28-18)29(25,26)23-12-6-3-7-13-23/h2,4-5,8-11,16,19H,3,6-7,12-15H2,1H3.
What are the key properties of (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone?
(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone has a molecular weight of 418.52 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone is sourced from PubChem (CID 47913591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).