N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C22H25Cl2N3O4S — CID 3751035

IUPACN-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C22H25Cl2N3O4S/c1-14-3-5-20(6-4-14)32(30,31)27-9-7-16(8-10-27)22(29)25-15(2)21(28)26-19-12-17(23)11-18(24)13-19/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyASKNRKOOGWAMSR-UHFFFAOYSA-N
MW498.43 g/mol
LogP3.85
Rot. Bonds6

About N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 3751035) has the molecular formula C22H25Cl2N3O4S and a molecular weight of 498.43 g/mol. Its IUPAC name is N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID3751035
Molecular FormulaC22H25Cl2N3O4S
Molecular Weight498.43 g/mol
Exact Mass497.09
IUPAC NameN-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C22H25Cl2N3O4S/c1-14-3-5-20(6-4-14)32(30,31)27-9-7-16(8-10-27)22(29)25-15(2)21(28)26-19-12-17(23)11-18(24)13-19/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyASKNRKOOGWAMSR-UHFFFAOYSA-N
XLogP3.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide
CID 3716973
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3741566
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4295312
N-[(2R)-1-(3,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 92508633
1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 28572355
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5389629
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 92509088
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 27783378
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 3751035) is N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ASKNRKOOGWAMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O4S/c1-14-3-5-20(6-4-14)32(30,31)27-9-7-16(8-10-27)22(29)25-15(2)21(28)26-19-12-17(23)11-18(24)13-19/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 498.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3751035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).