4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide

C23H35N3O5S — CID 55518467

IUPAC4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C23H35N3O5S/c1-23(2,3)19-6-8-20(9-7-19)32(29,30)24-11-10-21(27)26-12-4-5-18(17-26)22(28)25-13-15-31-16-14-25/h6-9,18,24H,4-5,10-17H2,1-3H3
InChIKeySNQDFKZDNIEVMM-UHFFFAOYSA-N
MW465.62 g/mol
LogP1.75
Rot. Bonds6

About 4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide

4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 55518467) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID55518467
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC Name4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C23H35N3O5S/c1-23(2,3)19-6-8-20(9-7-19)32(29,30)24-11-10-21(27)26-12-4-5-18(17-26)22(28)25-13-15-31-16-14-25/h6-9,18,24H,4-5,10-17H2,1-3H3
InChIKeySNQDFKZDNIEVMM-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119492656
[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 51322299
4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995708
(3S)-1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830900
(3R)-1-[3-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830904
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 18146077
4-tert-butyl-N-[3-oxo-3-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide
CID 124892637
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 2242336
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide
CID 90589242
4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 55588604

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 55518467) is 4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is SNQDFKZDNIEVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-23(2,3)19-6-8-20(9-7-19)32(29,30)24-11-10-21(27)26-12-4-5-18(17-26)22(28)25-13-15-31-16-14-25/h6-9,18,24H,4-5,10-17H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 465.62 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55518467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).