N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide

C21H26N2O4S — CID 35728693

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26N2O4S/c1-17-10-11-18(16-20(17)28(25,26)23-13-6-3-7-14-23)22-21(24)12-15-27-19-8-4-2-5-9-19/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,22,24)
InChIKeyRCUKVIQMRXHMGV-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.58
Rot. Bonds7

About N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide (PubChem CID 35728693) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
PubChem CID35728693
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26N2O4S/c1-17-10-11-18(16-20(17)28(25,26)23-13-6-3-7-14-23)22-21(24)12-15-27-19-8-4-2-5-9-19/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,22,24)
InChIKeyRCUKVIQMRXHMGV-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55329553
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 34367905
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 31289277
2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8901179
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide
CID 55358975
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931
2-(4-benzylpiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489195

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide (CID 35728693) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide is Cc1ccc(NC(=O)CCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide?
The InChIKey is RCUKVIQMRXHMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-17-10-11-18(16-20(17)28(25,26)23-13-6-3-7-14-23)22-21(24)12-15-27-19-8-4-2-5-9-19/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,22,24).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide has a molecular weight of 402.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide is sourced from PubChem (CID 35728693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).