1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

C24H29Cl2N3O7S2 — CID 43909270

IUPAC1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H29Cl2N3O7S2/c1-35-22-5-3-19(15-23(22)38(33,34)29-10-12-36-13-11-29)27-24(30)18-6-8-28(9-7-18)37(31,32)16-17-2-4-20(25)21(26)14-17/h2-5,14-15,18H,6-13,16H2,1H3,(H,27,30)
InChIKeyMZHSUDACMDJLRU-UHFFFAOYSA-N
MW606.55 g/mol
LogP3.20
Rot. Bonds8

About 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 43909270) has the molecular formula C24H29Cl2N3O7S2 and a molecular weight of 606.55 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID43909270
Molecular FormulaC24H29Cl2N3O7S2
Molecular Weight606.55 g/mol
Exact Mass605.08
IUPAC Name1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H29Cl2N3O7S2/c1-35-22-5-3-19(15-23(22)38(33,34)29-10-12-36-13-11-29)27-24(30)18-6-8-28(9-7-18)37(31,32)16-17-2-4-20(25)21(26)14-17/h2-5,14-15,18H,6-13,16H2,1H3,(H,27,30)
InChIKeyMZHSUDACMDJLRU-UHFFFAOYSA-N
XLogP3.20
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.55
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 99940211
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119264823
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43908095
(2R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 8800265
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55817715
(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660568
N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126382202
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 43916601

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (CID 43909270) is 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is MZHSUDACMDJLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O7S2/c1-35-22-5-3-19(15-23(22)38(33,34)29-10-12-36-13-11-29)27-24(30)18-6-8-28(9-7-18)37(31,32)16-17-2-4-20(25)21(26)14-17/h2-5,14-15,18H,6-13,16H2,1H3,(H,27,30).
What are the key properties of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 606.55 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 43909270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).