N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C21H30N2O4S — CID 55445819

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC3CCC2C3)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H30N2O4S/c1-2-27-19-9-8-17(22-21(24)18-13-15-6-7-16(18)12-15)14-20(19)28(25,26)23-10-4-3-5-11-23/h8-9,14-16,18H,2-7,10-13H2,1H3,(H,22,24)
InChIKeyXFJWTAMQLIYCPW-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.63
Rot. Bonds6

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 55445819) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID55445819
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC3CCC2C3)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H30N2O4S/c1-2-27-19-9-8-17(22-21(24)18-13-15-6-7-16(18)12-15)14-20(19)28(25,26)23-10-4-3-5-11-23/h8-9,14-16,18H,2-7,10-13H2,1H3,(H,22,24)
InChIKeyXFJWTAMQLIYCPW-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 55683607
1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55606432
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide
CID 119688738
4-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46446491
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 21174722
(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
N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 51699027
3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119693225

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 55445819) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is CCOc1ccc(NC(=O)C2CC3CCC2C3)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XFJWTAMQLIYCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-2-27-19-9-8-17(22-21(24)18-13-15-6-7-16(18)12-15)14-20(19)28(25,26)23-10-4-3-5-11-23/h8-9,14-16,18H,2-7,10-13H2,1H3,(H,22,24).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 55445819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).