N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide

C19H26N4O3S — CID 86935391

IUPACN-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
SMILESCCc1nccn1C1CCCN(C(=O)Cc2ccccc2NS(C)(=O)=O)C1
InChIInChI=1S/C19H26N4O3S/c1-3-18-20-10-12-23(18)16-8-6-11-22(14-16)19(24)13-15-7-4-5-9-17(15)21-27(2,25)26/h4-5,7,9-10,12,16,21H,3,6,8,11,13-14H2,1-2H3
InChIKeyKVQZNBOPPMMRTN-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.22
Rot. Bonds6

About N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide

N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide (PubChem CID 86935391) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
PubChem CID86935391
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
SMILESCCc1nccn1C1CCCN(C(=O)Cc2ccccc2NS(C)(=O)=O)C1
InChIInChI=1S/C19H26N4O3S/c1-3-18-20-10-12-23(18)16-8-6-11-22(14-16)19(24)13-15-7-4-5-9-17(15)21-27(2,25)26/h4-5,7,9-10,12,16,21H,3,6,8,11,13-14H2,1-2H3
InChIKeyKVQZNBOPPMMRTN-UHFFFAOYSA-N
XLogP2.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
CID 95341954
1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 95341898
2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95341017
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779716
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 86905670
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
CID 95978611
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 129448843
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119881407

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide (CID 86935391) is N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide is CCc1nccn1C1CCCN(C(=O)Cc2ccccc2NS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The InChIKey is KVQZNBOPPMMRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-3-18-20-10-12-23(18)16-8-6-11-22(14-16)19(24)13-15-7-4-5-9-17(15)21-27(2,25)26/h4-5,7,9-10,12,16,21H,3,6,8,11,13-14H2,1-2H3.
What are the key properties of N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 86935391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).