1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide

C23H28ClN3O5S — CID 17223515

IUPAC1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C23H28ClN3O5S/c1-32-16-4-13-25-33(30,31)19-9-7-18(8-10-19)26-22(28)17-11-14-27(15-12-17)23(29)20-5-2-3-6-21(20)24/h2-3,5-10,17,25H,4,11-16H2,1H3,(H,26,28)
InChIKeyDFXGHZUUUSSKCJ-UHFFFAOYSA-N
MW494.01 g/mol
LogP3.15
Rot. Bonds9

About 1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 17223515) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID17223515
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Name1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C23H28ClN3O5S/c1-32-16-4-13-25-33(30,31)19-9-7-18(8-10-19)26-22(28)17-11-14-27(15-12-17)23(29)20-5-2-3-6-21(20)24/h2-3,5-10,17,25H,4,11-16H2,1H3,(H,26,28)
InChIKeyDFXGHZUUUSSKCJ-UHFFFAOYSA-N
XLogP3.15
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119336
1-(4-fluorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17224019
1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223474
1-(2-chlorobenzoyl)-N-[4-(dipropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223467
1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119366
N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 17223318
N-[4-(butylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081720
1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17081244
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 6470610
1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide
CID 71846024

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 17223515) is 1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide is COCCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is DFXGHZUUUSSKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-32-16-4-13-25-33(30,31)19-9-7-18(8-10-19)26-22(28)17-11-14-27(15-12-17)23(29)20-5-2-3-6-21(20)24/h2-3,5-10,17,25H,4,11-16H2,1H3,(H,26,28).
What are the key properties of 1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 494.01 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 17223515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).