N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide

C22H33N3O5S — CID 55602817

IUPACN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H33N3O5S/c26-22(23-16-21(19-7-12-30-17-19)24-10-13-29-14-11-24)18-5-4-6-20(15-18)31(27,28)25-8-2-1-3-9-25/h4-6,15,19,21H,1-3,7-14,16-17H2,(H,23,26)
InChIKeyHLIPSNSSCKGSGK-UHFFFAOYSA-N
MW451.59 g/mol
LogP1.33
Rot. Bonds7

About N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide

N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55602817) has the molecular formula C22H33N3O5S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55602817
Molecular FormulaC22H33N3O5S
Molecular Weight451.59 g/mol
Exact Mass451.21
IUPAC NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H33N3O5S/c26-22(23-16-21(19-7-12-30-17-19)24-10-13-29-14-11-24)18-5-4-6-20(15-18)31(27,28)25-8-2-1-3-9-25/h4-6,15,19,21H,1-3,7-14,16-17H2,(H,23,26)
InChIKeyHLIPSNSSCKGSGK-UHFFFAOYSA-N
XLogP1.33
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642118
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55641902
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55642193
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064823
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 97202366
1-(benzenesulfonyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]piperidine-2-carboxamide
CID 55641996
4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642370
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N-(3-amino-2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119996017
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 50946109

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide (CID 55602817) is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide is O=C(NCC(C1CCOC1)N1CCOCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HLIPSNSSCKGSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5S/c26-22(23-16-21(19-7-12-30-17-19)24-10-13-29-14-11-24)18-5-4-6-20(15-18)31(27,28)25-8-2-1-3-9-25/h4-6,15,19,21H,1-3,7-14,16-17H2,(H,23,26).
What are the key properties of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 451.59 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55602817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).