2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide

C24H31N3O4S — CID 68945175

IUPAC2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(CC(=O)N(C)C)cc3)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C24H31N3O4S/c1-17-5-8-21(16-22(17)25-32(4,30)31)24(29)27-13-11-20(12-14-27)19-9-6-18(7-10-19)15-23(28)26(2)3/h5-10,16,20,25H,11-15H2,1-4H3
InChIKeyQLJZYWROOJNBHG-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.02
Rot. Bonds6

About 2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide

2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide (PubChem CID 68945175) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide
PubChem CID68945175
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(CC(=O)N(C)C)cc3)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C24H31N3O4S/c1-17-5-8-21(16-22(17)25-32(4,30)31)24(29)27-13-11-20(12-14-27)19-9-6-18(7-10-19)15-23(28)26(2)3/h5-10,16,20,25H,11-15H2,1-4H3
InChIKeyQLJZYWROOJNBHG-UHFFFAOYSA-N
XLogP3.02
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-[4-(4-methylsulfonylphenyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 25153153
2-hydroxy-4-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N-[[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]methyl]-N',N',2-trimethylpentanediamide
CID 87720466
N-[5-[4-[4-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]piperidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 68945596
N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide
CID 89265421
N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-(4-methylsulfonylphenyl)methanesulfonamide
CID 89194941
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 68943849
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]benzenesulfonamide
CID 25153989
N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 68948884
N-[5-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 55685272
N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 39457332
N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 119632504
N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide
CID 134044426

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide (CID 68945175) is 2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide is Cc1ccc(C(=O)N2CCC(c3ccc(CC(=O)N(C)C)cc3)CC2)cc1NS(C)(=O)=O.
What is the InChIKey of 2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide?
The InChIKey is QLJZYWROOJNBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-17-5-8-21(16-22(17)25-32(4,30)31)24(29)27-13-11-20(12-14-27)19-9-6-18(7-10-19)15-23(28)26(2)3/h5-10,16,20,25H,11-15H2,1-4H3.
What are the key properties of 2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide?
2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide has a molecular weight of 457.60 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 68945175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).