N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide

C24H28ClN3O4S — CID 20900953

IUPACN-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccc(Cl)cc4)C3)ccc21
InChIInChI=1S/C24H28ClN3O4S/c1-24(2)20-13-19(10-11-21(20)27(3)23(24)30)33(31,32)28-12-4-5-17(15-28)22(29)26-14-16-6-8-18(25)9-7-16/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,26,29)
InChIKeyNPMOPWQLFRULCM-UHFFFAOYSA-N
MW490.03 g/mol
LogP3.31
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 20900953) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
PubChem CID20900953
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccc(Cl)cc4)C3)ccc21
InChIInChI=1S/C24H28ClN3O4S/c1-24(2)20-13-19(10-11-21(20)27(3)23(24)30)33(31,32)28-12-4-5-17(15-28)22(29)26-14-16-6-8-18(25)9-7-16/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,26,29)
InChIKeyNPMOPWQLFRULCM-UHFFFAOYSA-N
XLogP3.31
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide (CID 20900953) is N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccc(Cl)cc4)C3)ccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is NPMOPWQLFRULCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-24(2)20-13-19(10-11-21(20)27(3)23(24)30)33(31,32)28-12-4-5-17(15-28)22(29)26-14-16-6-8-18(25)9-7-16/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 490.03 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20900953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).