N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide

C22H29N3O3S — CID 108567057

IUPACN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-4-17-5-11-21(12-6-17)29(27,28)23-19-13-15-25(16-14-19)22(26)18-7-9-20(10-8-18)24(2)3/h5-12,19,23H,4,13-16H2,1-3H3
InChIKeyKQRNJKJRYNRXIN-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.90
Rot. Bonds6

About N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide

N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide (PubChem CID 108567057) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
PubChem CID108567057
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-4-17-5-11-21(12-6-17)29(27,28)23-19-13-15-25(16-14-19)22(26)18-7-9-20(10-8-18)24(2)3/h5-12,19,23H,4,13-16H2,1-3H3
InChIKeyKQRNJKJRYNRXIN-UHFFFAOYSA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 38814852
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108563317
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119646580
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566010
N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide (CID 108567057) is N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide?
The InChIKey is KQRNJKJRYNRXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-4-17-5-11-21(12-6-17)29(27,28)23-19-13-15-25(16-14-19)22(26)18-7-9-20(10-8-18)24(2)3/h5-12,19,23H,4,13-16H2,1-3H3.
What are the key properties of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide?
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide has a molecular weight of 415.56 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 108567057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).