N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide

C32H45ClN4O6S2 — CID 18539253

IUPACN-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C32H45ClN4O6S2/c1-44(39,40)35-18-12-28(13-19-35)32(38)37(30-5-2-4-29(33)25-30)15-3-14-34-16-10-27(11-17-34)24-26-6-8-31(9-7-26)45(41,42)36-20-22-43-23-21-36/h2,4-9,25,27-28H,3,10-24H2,1H3
InChIKeyGDSQKOGQKSFGIU-UHFFFAOYSA-N
MW681.32 g/mol
LogP3.71
Rot. Bonds11

About N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide

N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 18539253) has the molecular formula C32H45ClN4O6S2 and a molecular weight of 681.32 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
PubChem CID18539253
Molecular FormulaC32H45ClN4O6S2
Molecular Weight681.32 g/mol
Exact Mass680.25
IUPAC NameN-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C32H45ClN4O6S2/c1-44(39,40)35-18-12-28(13-19-35)32(38)37(30-5-2-4-29(33)25-30)15-3-14-34-16-10-27(11-17-34)24-26-6-8-31(9-7-26)45(41,42)36-20-22-43-23-21-36/h2,4-9,25,27-28H,3,10-24H2,1H3
InChIKeyGDSQKOGQKSFGIU-UHFFFAOYSA-N
XLogP3.71
TPSA107.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500681.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide
CID 3013701
[4-(3-Chlorophenyl)piperazin-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 4796055
Urea, N'-(4-chlorophenyl)-N-(3-(4-((4-(4-morpholinylsulfonyl)phenyl)methyl)-1-piperidinyl)propyl)-N-phenyl-
CID 3008347
N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholinophenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide
CID 3013698
N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-sulfamoylphenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide
CID 3013704
N-(3,4-dichlorophenyl)-N-[3-[4-[[4-(methylsulfamoyl)phenyl]methyl]-1-piperidyl]propyl]-1-methylsulfonyl-piperidine-4-carboxamide
CID 3013705
N-(3,4-dichlorophenyl)-N-[3-[4-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-piperidyl]propyl]-1-methylsulfonyl-piperidine-4-carboxamide
CID 3013706
N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholinosulfonylphenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide
CID 3013707
N-(3-chloro-4-fluorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 18538692
N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 18539063
[2-[4-[(3-Chloro-4-methylphenyl)-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]carbamoyl]piperidin-1-yl]-2-oxoethyl] 4-methylbenzenesulfonate
CID 58282577
[4-(3-Chlorophenyl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1307885

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide (CID 18539253) is N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?
The InChIKey is GDSQKOGQKSFGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45ClN4O6S2/c1-44(39,40)35-18-12-28(13-19-35)32(38)37(30-5-2-4-29(33)25-30)15-3-14-34-16-10-27(11-17-34)24-26-6-8-31(9-7-26)45(41,42)36-20-22-43-23-21-36/h2,4-9,25,27-28H,3,10-24H2,1H3.
What are the key properties of N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide has a molecular weight of 681.32 g/mol, XLogP of 3.71, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 18539253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).