N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide

C16H25N3O4S — CID 39944100

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1ccc(OCCNC(=O)C2CCN(S(N)(=O)=O)CC2)c(C)c1
InChIInChI=1S/C16H25N3O4S/c1-12-3-4-15(13(2)11-12)23-10-7-18-16(20)14-5-8-19(9-6-14)24(17,21)22/h3-4,11,14H,5-10H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyLAZLQZBBDHVCIG-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.71
Rot. Bonds6

About N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide

N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 39944100) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID39944100
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1ccc(OCCNC(=O)C2CCN(S(N)(=O)=O)CC2)c(C)c1
InChIInChI=1S/C16H25N3O4S/c1-12-3-4-15(13(2)11-12)23-10-7-18-16(20)14-5-8-19(9-6-14)24(17,21)22/h3-4,11,14H,5-10H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyLAZLQZBBDHVCIG-UHFFFAOYSA-N
XLogP0.71
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-3-carboxamide
CID 133164371
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27240838
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide
CID 110315369
1-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 154860590
N-[3-(4-chloro-2-methylphenoxy)propyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 60578837
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 32600877
N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112973614
N-(3-cyclohexyloxypropyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55408291
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55903028
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide (CID 39944100) is N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide is Cc1ccc(OCCNC(=O)C2CCN(S(N)(=O)=O)CC2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is LAZLQZBBDHVCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-12-3-4-15(13(2)11-12)23-10-7-18-16(20)14-5-8-19(9-6-14)24(17,21)22/h3-4,11,14H,5-10H2,1-2H3,(H,18,20)(H2,17,21,22).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 39944100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).