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

C23H26ClN3O4S — CID 22552128

IUPACN-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C23H26ClN3O4S/c1-23(2)19-14-18(8-9-20(19)26(3)22(23)29)32(30,31)27-12-10-15(11-13-27)21(28)25-17-6-4-16(24)5-7-17/h4-9,14-15H,10-13H2,1-3H3,(H,25,28)
InChIKeyPCGYWQCDJMLAAN-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.63
Rot. Bonds4

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

N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 22552128) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
PubChem CID22552128
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC NameN-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C23H26ClN3O4S/c1-23(2)19-14-18(8-9-20(19)26(3)22(23)29)32(30,31)27-12-10-15(11-13-27)21(28)25-17-6-4-16(24)5-7-17/h4-9,14-15H,10-13H2,1-3H3,(H,25,28)
InChIKeyPCGYWQCDJMLAAN-UHFFFAOYSA-N
XLogP3.63
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22519320
N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22582650
1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
CID 22519310
N-(3,4-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519279
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-acetyl-N-(1,3,3-trimethyl-2-oxoindol-5-yl)piperidine-4-carboxamide
CID 110742190
(3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681768
N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519264
N-(4-chlorophenyl)-1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53068480
N-(4-chlorophenyl)-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 95068562

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide (CID 22552128) is N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)ccc21.
What is the InChIKey of N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PCGYWQCDJMLAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-23(2)19-14-18(8-9-20(19)26(3)22(23)29)32(30,31)27-12-10-15(11-13-27)21(28)25-17-6-4-16(24)5-7-17/h4-9,14-15H,10-13H2,1-3H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide?
N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 22552128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).