(3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C19H24N2O5S2 — CID 94111152

IUPAC(3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C19H24N2O5S2/c1-25-16-6-2-7-17(13-16)26-11-9-20-19(22)15-5-3-10-21(14-15)28(23,24)18-8-4-12-27-18/h2,4,6-8,12-13,15H,3,5,9-11,14H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyZZRZMHNDGGWYPB-OAHLLOKOSA-N
MW424.54 g/mol
LogP2.35
Rot. Bonds8

About (3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 94111152) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is (3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID94111152
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name(3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C19H24N2O5S2/c1-25-16-6-2-7-17(13-16)26-11-9-20-19(22)15-5-3-10-21(14-15)28(23,24)18-8-4-12-27-18/h2,4,6-8,12-13,15H,3,5,9-11,14H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyZZRZMHNDGGWYPB-OAHLLOKOSA-N
XLogP2.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38011691
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(3-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 55586189
(3S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98636720
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515
(3R)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95875459
(3S)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38017869
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031
N-[3-(4-methylpiperazin-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43905757
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43917011
(3R)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 8547879
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 94111152) is (3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is COc1cccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1.
What is the InChIKey of (3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZZRZMHNDGGWYPB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-25-16-6-2-7-17(13-16)26-11-9-20-19(22)15-5-3-10-21(14-15)28(23,24)18-8-4-12-27-18/h2,4,6-8,12-13,15H,3,5,9-11,14H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 94111152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).