(3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C20H22N2O4S2 — CID 38298487

IUPAC(3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O4S2/c23-20(21-9-6-17(7-10-21)16-4-2-1-3-5-16)19-18(8-15-27-19)28(24,25)22-11-13-26-14-12-22/h1-6,8,15H,7,9-14H2
InChIKeyASDHNAJOVRUNKJ-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.70
Rot. Bonds4

About (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 38298487) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID38298487
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC Name(3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O4S2/c23-20(21-9-6-17(7-10-21)16-4-2-1-3-5-16)19-18(8-15-27-19)28(24,25)22-11-13-26-14-12-22/h1-6,8,15H,7,9-14H2
InChIKeyASDHNAJOVRUNKJ-UHFFFAOYSA-N
XLogP2.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-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

3,4-dihydro-1H-isoquinolin-2-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 51284581
1,4-diazepan-1-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414929
3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 55455571
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877544
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
(2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31829879
(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532948
tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55736034
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 4965181
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30664840

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 38298487) is (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is ASDHNAJOVRUNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c23-20(21-9-6-17(7-10-21)16-4-2-1-3-5-16)19-18(8-15-27-19)28(24,25)22-11-13-26-14-12-22/h1-6,8,15H,7,9-14H2.
What are the key properties of (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 418.54 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 38298487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).