3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

C23H30N4O5S — CID 55982410

IUPAC3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1OC
InChIInChI=1S/C23H30N4O5S/c1-4-33(30,31)26-20-11-10-19(14-21(20)32-3)24-22(28)17-8-6-12-27(15-17)23(29)25-18-9-5-7-16(2)13-18/h5,7,9-11,13-14,17,26H,4,6,8,12,15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyILRWQHPQYRVELU-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.65
Rot. Bonds7

About 3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 55982410) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is 3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID55982410
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Name3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1OC
InChIInChI=1S/C23H30N4O5S/c1-4-33(30,31)26-20-11-10-19(14-21(20)32-3)24-22(28)17-8-6-12-27(15-17)23(29)25-18-9-5-7-16(2)13-18/h5,7,9-11,13-14,17,26H,4,6,8,12,15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyILRWQHPQYRVELU-UHFFFAOYSA-N
XLogP3.65
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55956395
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55956907
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55912491
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817620
(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 55982410) is 3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1OC.
What is the InChIKey of 3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is ILRWQHPQYRVELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-4-33(30,31)26-20-11-10-19(14-21(20)32-3)24-22(28)17-8-6-12-27(15-17)23(29)25-18-9-5-7-16(2)13-18/h5,7,9-11,13-14,17,26H,4,6,8,12,15H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 474.58 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55982410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).