1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide

C22H37N3O3S — CID 20968188

IUPAC1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C22H37N3O3S/c1-17(2)15-25(16-18(3)4)29(27,28)24-13-11-21(12-14-24)22(26)23-19(5)20-9-7-6-8-10-20/h6-10,17-19,21H,11-16H2,1-5H3,(H,23,26)
InChIKeyFMVOMKRBEWIUMB-UHFFFAOYSA-N
MW423.62 g/mol
LogP3.43
Rot. Bonds9

About 1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide

1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 20968188) has the molecular formula C22H37N3O3S and a molecular weight of 423.62 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID20968188
Molecular FormulaC22H37N3O3S
Molecular Weight423.62 g/mol
Exact Mass423.26
IUPAC Name1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C22H37N3O3S/c1-17(2)15-25(16-18(3)4)29(27,28)24-13-11-21(12-14-24)22(26)23-19(5)20-9-7-6-8-10-20/h6-10,17-19,21H,11-16H2,1-5H3,(H,23,26)
InChIKeyFMVOMKRBEWIUMB-UHFFFAOYSA-N
XLogP3.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.62
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369
1-[(2-methylphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92802456
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802401
1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 42998415
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
1-(benzenesulfonyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 26957904
1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 133255017
1-(2,5-dimethylphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 100780467
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide (CID 20968188) is 1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is FMVOMKRBEWIUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3S/c1-17(2)15-25(16-18(3)4)29(27,28)24-13-11-21(12-14-24)22(26)23-19(5)20-9-7-6-8-10-20/h6-10,17-19,21H,11-16H2,1-5H3,(H,23,26).
What are the key properties of 1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 423.62 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20968188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).