1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide

C23H35N3O5S — CID 55606432

IUPAC1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN2C(=O)C(C)(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H35N3O5S/c1-5-31-19-12-11-17(16-20(19)32(29,30)25-13-7-6-8-14-25)24-21(27)18-10-9-15-26(18)22(28)23(2,3)4/h11-12,16,18H,5-10,13-15H2,1-4H3,(H,24,27)
InChIKeyNFDZBIJXVDYAKI-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.24
Rot. Bonds6

About 1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide (PubChem CID 55606432) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
PubChem CID55606432
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN2C(=O)C(C)(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H35N3O5S/c1-5-31-19-12-11-17(16-20(19)32(29,30)25-13-7-6-8-14-25)24-21(27)18-10-9-15-26(18)22(28)23(2,3)4/h11-12,16,18H,5-10,13-15H2,1-4H3,(H,24,27)
InChIKeyNFDZBIJXVDYAKI-UHFFFAOYSA-N
XLogP3.24
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 55683607
1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55630523
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 55445819
(2S,4S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpiperidine-4-carboxamide
CID 120618053
4-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46446491
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
1-(cyclopropanecarbonyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55630754
(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-piperidin-1-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535056
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide (CID 55606432) is 1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide is CCOc1ccc(NC(=O)C2CCCN2C(=O)C(C)(C)C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is NFDZBIJXVDYAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-5-31-19-12-11-17(16-20(19)32(29,30)25-13-7-6-8-14-25)24-21(27)18-10-9-15-26(18)22(28)23(2,3)4/h11-12,16,18H,5-10,13-15H2,1-4H3,(H,24,27).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55606432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).