2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide

C21H33N3O4S — CID 69226951

IUPAC2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide
SMILESCCC(CC)(C(=O)NN1CCOCC1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C21H33N3O4S/c1-3-21(4-2,20(25)22-23-13-15-28-16-14-23)18-9-8-12-24(17-18)29(26,27)19-10-6-5-7-11-19/h5-7,10-11,18H,3-4,8-9,12-17H2,1-2H3,(H,22,25)
InChIKeyGCJWBXXMGWZYDN-UHFFFAOYSA-N
MW423.58 g/mol
LogP2.26
Rot. Bonds7

About 2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide

2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide (PubChem CID 69226951) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide
PubChem CID69226951
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide
SMILESCCC(CC)(C(=O)NN1CCOCC1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C21H33N3O4S/c1-3-21(4-2,20(25)22-23-13-15-28-16-14-23)18-9-8-12-24(17-18)29(26,27)19-10-6-5-7-11-19/h5-7,10-11,18H,3-4,8-9,12-17H2,1-2H3,(H,22,25)
InChIKeyGCJWBXXMGWZYDN-UHFFFAOYSA-N
XLogP2.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(benzenesulfonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198963
(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 100663435
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
CID 24962602
1-(4-methylphenyl)sulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 133168162
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide (CID 69226951) is 2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide is CCC(CC)(C(=O)NN1CCOCC1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide?
The InChIKey is GCJWBXXMGWZYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-3-21(4-2,20(25)22-23-13-15-28-16-14-23)18-9-8-12-24(17-18)29(26,27)19-10-6-5-7-11-19/h5-7,10-11,18H,3-4,8-9,12-17H2,1-2H3,(H,22,25).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide?
2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide has a molecular weight of 423.58 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-3-yl]-2-ethyl-N-morpholin-4-ylbutanamide is sourced from PubChem (CID 69226951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).