3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide

C23H30N2O3S2 — CID 133229568

IUPAC3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCC(C)c2ccccc2)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C23H30N2O3S2/c1-17-11-13-25(14-12-17)23(26)21-15-20(9-10-22(21)29-3)30(27,28)24-16-18(2)19-7-5-4-6-8-19/h4-10,15,17-18,24H,11-14,16H2,1-3H3
InChIKeyJVVMSUFPDYHDCA-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.36
Rot. Bonds7

About 3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide

3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide (PubChem CID 133229568) has the molecular formula C23H30N2O3S2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide
PubChem CID133229568
Molecular FormulaC23H30N2O3S2
Molecular Weight446.64 g/mol
Exact Mass446.17
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCC(C)c2ccccc2)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C23H30N2O3S2/c1-17-11-13-25(14-12-17)23(26)21-15-20(9-10-22(21)29-3)30(27,28)24-16-18(2)19-7-5-4-6-8-19/h4-10,15,17-18,24H,11-14,16H2,1-3H3
InChIKeyJVVMSUFPDYHDCA-UHFFFAOYSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133220124
4-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 94019740
N-(2-ethylhexyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 133229560
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide
CID 99958491
4-methoxy-N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 21368120
N-[(2S)-3-methylbutan-2-yl]-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 100568152
N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 133160792
4-methylsulfanyl-3-(piperidine-1-carbonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 46767874
N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 133164270
N-(3-methylbutan-2-yl)-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 133249991
4-methoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 28567240
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55988627

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide (CID 133229568) is 3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide is CSc1ccc(S(=O)(=O)NCC(C)c2ccccc2)cc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide?
The InChIKey is JVVMSUFPDYHDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S2/c1-17-11-13-25(14-12-17)23(26)21-15-20(9-10-22(21)29-3)30(27,28)24-16-18(2)19-7-5-4-6-8-19/h4-10,15,17-18,24H,11-14,16H2,1-3H3.
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide?
3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide has a molecular weight of 446.64 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-4-methylsulfanyl-N-(2-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 133229568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).