N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide

C23H25N3O3S2 — CID 68948884

IUPACN-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCC(c3cccc(-c4cncs4)c3)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H25N3O3S2/c1-16-6-7-20(13-21(16)25-31(2,28)29)23(27)26-10-8-17(9-11-26)18-4-3-5-19(12-18)22-14-24-15-30-22/h3-7,12-15,17,25H,8-11H2,1-2H3
InChIKeyPSTBQPVSRJHBBU-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.51
Rot. Bonds5

About N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide

N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 68948884) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID68948884
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCC(c3cccc(-c4cncs4)c3)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H25N3O3S2/c1-16-6-7-20(13-21(16)25-31(2,28)29)23(27)26-10-8-17(9-11-26)18-4-3-5-19(12-18)22-14-24-15-30-22/h3-7,12-15,17,25H,8-11H2,1-2H3
InChIKeyPSTBQPVSRJHBBU-UHFFFAOYSA-N
XLogP4.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-[4-(4-methylsulfonylphenyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 25153153
N-[5-[4-[4-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]piperidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 68945596
2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide
CID 68945175
N-[2-methyl-5-(4-phenylazepane-1-carbonyl)phenyl]pyrimidine-5-carboxamide
CID 172664236
N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118645983
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]benzenesulfonamide
CID 25153989
N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide
CID 89265421
N-[2-methyl-5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 55556761
1-[5-[4-(3-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 68953307
2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
CID 118144211
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 68943849
N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-(4-methylsulfonylphenyl)methanesulfonamide
CID 89194941

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide (CID 68948884) is N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide is Cc1ccc(C(=O)N2CCC(c3cccc(-c4cncs4)c3)CC2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is PSTBQPVSRJHBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-16-6-7-20(13-21(16)25-31(2,28)29)23(27)26-10-8-17(9-11-26)18-4-3-5-19(12-18)22-14-24-15-30-22/h3-7,12-15,17,25H,8-11H2,1-2H3.
What are the key properties of N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 455.61 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 68948884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).