2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide

C30H39Cl2N3O3S — CID 66755827

IUPAC2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1CCC(C(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C30H39Cl2N3O3S/c31-27-16-15-26(21-28(27)32)39(37,38)35-19-5-4-10-25(35)20-29(36)33-24-13-11-23(12-14-24)30(34-17-6-7-18-34)22-8-2-1-3-9-22/h1-3,8-9,15-16,21,23-25,30H,4-7,10-14,17-20H2,(H,33,36)
InChIKeyRLIKSEQSKKTZOB-UHFFFAOYSA-N
MW592.63 g/mol
LogP6.44
Rot. Bonds8

About 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide

2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide (PubChem CID 66755827) has the molecular formula C30H39Cl2N3O3S and a molecular weight of 592.63 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide
PubChem CID66755827
Molecular FormulaC30H39Cl2N3O3S
Molecular Weight592.63 g/mol
Exact Mass591.21
IUPAC Name2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1CCC(C(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C30H39Cl2N3O3S/c31-27-16-15-26(21-28(27)32)39(37,38)35-19-5-4-10-25(35)20-29(36)33-24-13-11-23(12-14-24)30(34-17-6-7-18-34)22-8-2-1-3-9-22/h1-3,8-9,15-16,21,23-25,30H,4-7,10-14,17-20H2,(H,33,36)
InChIKeyRLIKSEQSKKTZOB-UHFFFAOYSA-N
XLogP6.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.63
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
CID 42065160
1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-2-[4-[morpholin-4-yl(phenyl)methyl]piperidin-1-yl]ethanone
CID 25106797
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
CID 66703485
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42065132
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
N-cycloheptyl-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826844
2-[2-[cyclopropyl-(2,4,6-trichlorophenyl)sulfonylamino]ethoxy]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide
CID 66703118
N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 18448522
N-cyclohexyl-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 26562522
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42065079
N-(3-chloro-4-methylphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562219

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide (CID 66755827) is 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide is O=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1CCC(C(c2ccccc2)N2CCCC2)CC1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide?
The InChIKey is RLIKSEQSKKTZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39Cl2N3O3S/c31-27-16-15-26(21-28(27)32)39(37,38)35-19-5-4-10-25(35)20-29(36)33-24-13-11-23(12-14-24)30(34-17-6-7-18-34)22-8-2-1-3-9-22/h1-3,8-9,15-16,21,23-25,30H,4-7,10-14,17-20H2,(H,33,36).
What are the key properties of 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide?
2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide has a molecular weight of 592.63 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 66755827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).