1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide

C23H30N2O4S — CID 133167070

IUPAC1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(OCC(C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C
InChIInChI=1S/C23H30N2O4S/c1-17-9-10-21(15-18(17)2)29-16-19(3)24-23(26)20-11-13-25(14-12-20)30(27,28)22-7-5-4-6-8-22/h4-10,15,19-20H,11-14,16H2,1-3H3,(H,24,26)
InChIKeyVTHUWKMUWXZCLE-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.29
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide (PubChem CID 133167070) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide
PubChem CID133167070
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(OCC(C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C
InChIInChI=1S/C23H30N2O4S/c1-17-9-10-21(15-18(17)2)29-16-19(3)24-23(26)20-11-13-25(14-12-20)30(27,28)22-7-5-4-6-8-22/h4-10,15,19-20H,11-14,16H2,1-3H3,(H,24,26)
InChIKeyVTHUWKMUWXZCLE-UHFFFAOYSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167037
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167682
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100657504
1-(4-methoxyphenyl)sulfonyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167697
N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682822
(3R)-1-(benzenesulfonyl)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99254445
1-(4-fluorophenyl)sulfonyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 100652699
(3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 95880412
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100658335
1-(4-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248361
N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 120509212

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide (CID 133167070) is 1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide is Cc1ccc(OCC(C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is VTHUWKMUWXZCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17-9-10-21(15-18(17)2)29-16-19(3)24-23(26)20-11-13-25(14-12-20)30(27,28)22-7-5-4-6-8-22/h4-10,15,19-20H,11-14,16H2,1-3H3,(H,24,26).
What are the key properties of 1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 133167070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).