N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C22H28N2O3S2 — CID 26086762

IUPACN-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C22H28N2O3S2/c1-16(2)17-7-9-21(10-8-17)29(26,27)24-13-11-18(12-14-24)22(25)23-19-5-4-6-20(15-19)28-3/h4-10,15-16,18H,11-14H2,1-3H3,(H,23,25)
InChIKeyDKFMTGSKECPFCJ-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.57
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26086762) has the molecular formula C22H28N2O3S2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26086762
Molecular FormulaC22H28N2O3S2
Molecular Weight432.61 g/mol
Exact Mass432.15
IUPAC NameN-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C22H28N2O3S2/c1-16(2)17-7-9-21(10-8-17)29(26,27)24-13-11-18(12-14-24)22(25)23-19-5-4-6-20(15-19)28-3/h4-10,15-16,18H,11-14H2,1-3H3,(H,23,25)
InChIKeyDKFMTGSKECPFCJ-UHFFFAOYSA-N
XLogP4.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26736509
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 8802762
1-(4-propan-2-ylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26591934
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55837185
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 1243346
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 100652108
1-(1H-imidazol-5-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 20856442
N-(2,3-dimethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915055
1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 92723371
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-(benzenesulfonyl)-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131296
N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26087240

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 26086762) is N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DKFMTGSKECPFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S2/c1-16(2)17-7-9-21(10-8-17)29(26,27)24-13-11-18(12-14-24)22(25)23-19-5-4-6-20(15-19)28-3/h4-10,15-16,18H,11-14H2,1-3H3,(H,23,25).
What are the key properties of N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 432.61 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26086762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).