N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C26H29N3O5S — CID 55956395

IUPACN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1OC
InChIInChI=1S/C26H29N3O5S/c1-3-35(32,33)28-23-14-13-20(16-24(23)34-2)27-25(30)19-10-7-15-29(17-19)26(31)22-12-6-9-18-8-4-5-11-21(18)22/h4-6,8-9,11-14,16,19,28H,3,7,10,15,17H2,1-2H3,(H,27,30)
InChIKeyBSXQPJORPMHDCJ-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.10
Rot. Bonds7

About N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 55956395) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID55956395
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1OC
InChIInChI=1S/C26H29N3O5S/c1-3-35(32,33)28-23-14-13-20(16-24(23)34-2)27-25(30)19-10-7-15-29(17-19)26(31)22-12-6-9-18-8-4-5-11-21(18)22/h4-6,8-9,11-14,16,19,28H,3,7,10,15,17H2,1-2H3,(H,27,30)
InChIKeyBSXQPJORPMHDCJ-UHFFFAOYSA-N
XLogP4.10
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55982410
N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46433629
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55956907
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
N-(3-fluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355150
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 75861710
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355215
N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55429914
(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 52639571
N-(3,5-difluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 42923438

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 55956395) is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1OC.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is BSXQPJORPMHDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-3-35(32,33)28-23-14-13-20(16-24(23)34-2)27-25(30)19-10-7-15-29(17-19)26(31)22-12-6-9-18-8-4-5-11-21(18)22/h4-6,8-9,11-14,16,19,28H,3,7,10,15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 495.60 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55956395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).