1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide

C23H28N2O5S — CID 43056004

IUPAC1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H28N2O5S/c26-23(24-18-8-6-9-19(16-18)30-17-20-10-7-15-29-20)22-13-4-5-14-25(22)31(27,28)21-11-2-1-3-12-21/h1-3,6,8-9,11-12,16,20,22H,4-5,7,10,13-15,17H2,(H,24,26)
InChIKeyRXCAZPVWBJMNGD-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.43
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide (PubChem CID 43056004) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide
PubChem CID43056004
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H28N2O5S/c26-23(24-18-8-6-9-19(16-18)30-17-20-10-7-15-29-20)22-13-4-5-14-25(22)31(27,28)21-11-2-1-3-12-21/h1-3,6,8-9,11-12,16,20,22H,4-5,7,10,13-15,17H2,(H,24,26)
InChIKeyRXCAZPVWBJMNGD-UHFFFAOYSA-N
XLogP3.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropanecarbonyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]piperidine-4-carboxamide
CID 38474824
1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46802994
1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075805
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
tert-butyl (3S)-3-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38476608
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 43055996
2-[3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 119351880
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide (CID 43056004) is 1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide is O=C(Nc1cccc(OCC2CCCO2)c1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is RXCAZPVWBJMNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c26-23(24-18-8-6-9-19(16-18)30-17-20-10-7-15-29-20)22-13-4-5-14-25(22)31(27,28)21-11-2-1-3-12-21/h1-3,6,8-9,11-12,16,20,22H,4-5,7,10,13-15,17H2,(H,24,26).
What are the key properties of 1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 444.55 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 43056004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).