N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide

C17H25N3O4S — CID 10737714

IUPACN-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide
SMILESCNS(=O)(=O)CCc1ccc(NC=O)c(C(=O)C2CCN(C)CC2)c1
InChIInChI=1S/C17H25N3O4S/c1-18-25(23,24)10-7-13-3-4-16(19-12-21)15(11-13)17(22)14-5-8-20(2)9-6-14/h3-4,11-12,14,18H,5-10H2,1-2H3,(H,19,21)
InChIKeyLKLHZLXFHIXKRD-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.87
Rot. Bonds8

About N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide

N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide (PubChem CID 10737714) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide
PubChem CID10737714
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide
SMILESCNS(=O)(=O)CCc1ccc(NC=O)c(C(=O)C2CCN(C)CC2)c1
InChIInChI=1S/C17H25N3O4S/c1-18-25(23,24)10-7-13-3-4-16(19-12-21)15(11-13)17(22)14-5-8-20(2)9-6-14/h3-4,11-12,14,18H,5-10H2,1-2H3,(H,19,21)
InChIKeyLKLHZLXFHIXKRD-UHFFFAOYSA-N
XLogP0.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide?
The IUPAC name of N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide (CID 10737714) is N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide.
What is the SMILES notation for N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide?
The canonical SMILES for N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide is CNS(=O)(=O)CCc1ccc(NC=O)c(C(=O)C2CCN(C)CC2)c1.
What is the InChIKey of N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide?
The InChIKey is LKLHZLXFHIXKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-18-25(23,24)10-7-13-3-4-16(19-12-21)15(11-13)17(22)14-5-8-20(2)9-6-14/h3-4,11-12,14,18H,5-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide?
N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide has a molecular weight of 367.47 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide is sourced from PubChem (CID 10737714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).