(2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone

C23H28N2O5S2 — CID 31829879

IUPAC(2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O5S2/c1-16-3-4-19(17(2)15-16)21(26)18-5-8-24(9-6-18)23(27)22-20(7-14-31-22)32(28,29)25-10-12-30-13-11-25/h3-4,7,14-15,18H,5-6,8-13H2,1-2H3
InChIKeyIXANVJSKBKZANN-UHFFFAOYSA-N
MW476.62 g/mol
LogP3.12
Rot. Bonds5

About (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone

(2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 31829879) has the molecular formula C23H28N2O5S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID31829879
Molecular FormulaC23H28N2O5S2
Molecular Weight476.62 g/mol
Exact Mass476.14
IUPAC Name(2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O5S2/c1-16-3-4-19(17(2)15-16)21(26)18-5-8-24(9-6-18)23(27)22-20(7-14-31-22)32(28,29)25-10-12-30-13-11-25/h3-4,7,14-15,18H,5-6,8-13H2,1-2H3
InChIKeyIXANVJSKBKZANN-UHFFFAOYSA-N
XLogP3.12
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55736034
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 55519032
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
1,4-diazepan-1-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414929
[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
CID 34162008
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
(4-methylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 134033914
4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide
CID 32601136
3,4-dihydro-1H-isoquinolin-2-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 51284581
(3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38298487
(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532948

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone (CID 31829879) is (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is IXANVJSKBKZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S2/c1-16-3-4-19(17(2)15-16)21(26)18-5-8-24(9-6-18)23(27)22-20(7-14-31-22)32(28,29)25-10-12-30-13-11-25/h3-4,7,14-15,18H,5-6,8-13H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone?
(2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 476.62 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 31829879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).