1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C19H30N2O4S — CID 3156693

IUPAC1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-15(2)25-14-4-11-20-19(22)17-9-12-21(13-10-17)26(23,24)18-7-5-16(3)6-8-18/h5-8,15,17H,4,9-14H2,1-3H3,(H,20,22)
InChIKeyOZFUFBFUDAHIBC-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.33
Rot. Bonds8

About 1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 3156693) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID3156693
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-15(2)25-14-4-11-20-19(22)17-9-12-21(13-10-17)26(23,24)18-7-5-16(3)6-8-18/h5-8,15,17H,4,9-14H2,1-3H3,(H,20,22)
InChIKeyOZFUFBFUDAHIBC-UHFFFAOYSA-N
XLogP2.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
Ethyl 4-(3-{4-[(isobutylamino)sulfonyl]phenyl}propanoyl)-1-piperazinecarboxylate
CID 2950527
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-(cyclohexylmethyl)-1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 24241093
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387
N-Cycloheptyl-1-((2,4-dimethylphenyl)sulfonyl)piperidine-4-carboxamide
CID 26711777
N-(cyclohexylmethyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 30726432
tert-butyl N-[4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]butyl]carbamate
CID 118707440
N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 3156693) is 1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is OZFUFBFUDAHIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-15(2)25-14-4-11-20-19(22)17-9-12-21(13-10-17)26(23,24)18-7-5-16(3)6-8-18/h5-8,15,17H,4,9-14H2,1-3H3,(H,20,22).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3156693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).