N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide

C18H27N3O5S — CID 119688738

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2COCCN2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O5S/c1-2-26-16-7-6-14(20-18(22)15-13-25-11-8-19-15)12-17(16)27(23,24)21-9-4-3-5-10-21/h6-7,12,15,19H,2-5,8-11,13H2,1H3,(H,20,22)
InChIKeyMXVDVWCHJLJMPV-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.19
Rot. Bonds6

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide (PubChem CID 119688738) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide
PubChem CID119688738
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2COCCN2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O5S/c1-2-26-16-7-6-14(20-18(22)15-13-25-11-8-19-15)12-17(16)27(23,24)21-9-4-3-5-10-21/h6-7,12,15,19H,2-5,8-11,13H2,1H3,(H,20,22)
InChIKeyMXVDVWCHJLJMPV-UHFFFAOYSA-N
XLogP1.19
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]morpholine-3-carboxamide
CID 119675117
(2S,4S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpiperidine-4-carboxamide
CID 120618053
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 55683607
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 55445819
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
(2S,5R)-5-(aminomethyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)oxolane-2-carboxamide
CID 120784202
3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119693225
1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55606432
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide (CID 119688738) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide is CCOc1ccc(NC(=O)C2COCCN2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide?
The InChIKey is MXVDVWCHJLJMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-2-26-16-7-6-14(20-18(22)15-13-25-11-8-19-15)12-17(16)27(23,24)21-9-4-3-5-10-21/h6-7,12,15,19H,2-5,8-11,13H2,1H3,(H,20,22).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 119688738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).