N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

C23H30N2O3S2 — CID 28570527

IUPACN-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S2/c1-2-29-22-13-7-6-12-21(22)24-23(26)20-14-16-25(17-15-20)30(27,28)18-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-13,20H,2,8,11,14-18H2,1H3,(H,24,26)
InChIKeyOCKQZONLNUOYPY-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.41
Rot. Bonds9

About N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide (PubChem CID 28570527) has the molecular formula C23H30N2O3S2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
PubChem CID28570527
Molecular FormulaC23H30N2O3S2
Molecular Weight446.64 g/mol
Exact Mass446.17
IUPAC NameN-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S2/c1-2-29-22-13-7-6-12-21(22)24-23(26)20-14-16-25(17-15-20)30(27,28)18-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-13,20H,2,8,11,14-18H2,1H3,(H,24,26)
InChIKeyOCKQZONLNUOYPY-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 92671692
1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 99951546
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 55674924
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
(3S)-N-(2,3-dimethylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28566089
1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 133190680
(3S)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28636107
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
1-methylsulfonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide
CID 24603608
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 100753567

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide (CID 28570527) is N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide is CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide?
The InChIKey is OCKQZONLNUOYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S2/c1-2-29-22-13-7-6-12-21(22)24-23(26)20-14-16-25(17-15-20)30(27,28)18-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-13,20H,2,8,11,14-18H2,1H3,(H,24,26).
What are the key properties of N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide?
N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide has a molecular weight of 446.64 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 28570527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).