[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone

C23H30N2O5S2 — CID 55519032

IUPAC[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
SMILESCOc1ccc(CCC2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C23H30N2O5S2/c1-29-20-6-4-18(5-7-20)2-3-19-8-11-24(12-9-19)23(26)22-21(10-17-31-22)32(27,28)25-13-15-30-16-14-25/h4-7,10,17,19H,2-3,8-9,11-16H2,1H3
InChIKeyGYUMAFNMHVRCNK-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.26
Rot. Bonds7

About [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone

[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone (PubChem CID 55519032) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
PubChem CID55519032
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC Name[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
SMILESCOc1ccc(CCC2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C23H30N2O5S2/c1-29-20-6-4-18(5-7-20)2-3-19-8-11-24(12-9-19)23(26)22-21(10-17-31-22)32(27,28)25-13-15-30-16-14-25/h4-7,10,17,19H,2-3,8-9,11-16H2,1H3
InChIKeyGYUMAFNMHVRCNK-UHFFFAOYSA-N
XLogP3.26
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55736034
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 36608437
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 120920469
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734
(2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31829879
1,4-diazepan-1-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414929
4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
CID 134017737
(3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
CID 55456109
tert-butyl 4-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 55985527
3,4-dihydro-1H-isoquinolin-2-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 51284581
N-ethyl-4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]benzenesulfonamide
CID 46808163

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone (CID 55519032) is [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone is COc1ccc(CCC2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone?
The InChIKey is GYUMAFNMHVRCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-29-20-6-4-18(5-7-20)2-3-19-8-11-24(12-9-19)23(26)22-21(10-17-31-22)32(27,28)25-13-15-30-16-14-25/h4-7,10,17,19H,2-3,8-9,11-16H2,1H3.
What are the key properties of [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone?
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone has a molecular weight of 478.64 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone is sourced from PubChem (CID 55519032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).