N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide

C23H38N2O4S — CID 20968142

IUPACN-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
SMILESCC(=O)N1CCC(N(CCCOC(C)C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H38N2O4S/c1-18(2)29-17-7-14-25(21-12-15-24(16-13-21)19(3)26)30(27,28)22-10-8-20(9-11-22)23(4,5)6/h8-11,18,21H,7,12-17H2,1-6H3
InChIKeyLYGYQGUKZKFNBW-UHFFFAOYSA-N
MW438.63 g/mol
LogP3.80
Rot. Bonds8

About N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide

N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide (PubChem CID 20968142) has the molecular formula C23H38N2O4S and a molecular weight of 438.63 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
PubChem CID20968142
Molecular FormulaC23H38N2O4S
Molecular Weight438.63 g/mol
Exact Mass438.26
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
SMILESCC(=O)N1CCC(N(CCCOC(C)C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H38N2O4S/c1-18(2)29-17-7-14-25(21-12-15-24(16-13-21)19(3)26)30(27,28)22-10-8-20(9-11-22)23(4,5)6/h8-11,18,21H,7,12-17H2,1-6H3
InChIKeyLYGYQGUKZKFNBW-UHFFFAOYSA-N
XLogP3.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.63
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 9357145
N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-N-ethyl-acetamide
CID 478418
2-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 16305491
2-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 16380785
[1-[Cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 25162207
(2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 40973110
{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid ethyl ester
CID 44461581
N-{1-[(R)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-N-ethyl-acetamide
CID 44461623
1-(Azepan-1-yl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 162670648
(2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 40973112
2-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-1-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 162643503
2-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 162644583

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide (CID 20968142) is N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide is CC(=O)N1CCC(N(CCCOC(C)C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
The InChIKey is LYGYQGUKZKFNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O4S/c1-18(2)29-17-7-14-25(21-12-15-24(16-13-21)19(3)26)30(27,28)22-10-8-20(9-11-22)23(4,5)6/h8-11,18,21H,7,12-17H2,1-6H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide has a molecular weight of 438.63 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-tert-butyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide is sourced from PubChem (CID 20968142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).