N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C24H31N3O7S2 — CID 133168051

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C24H31N3O7S2/c1-18-5-7-20(8-6-18)35(29,30)27-11-3-4-19(17-27)24(28)25-22-16-21(9-10-23(22)33-2)36(31,32)26-12-14-34-15-13-26/h5-10,16,19H,3-4,11-15,17H2,1-2H3,(H,25,28)
InChIKeyYIWADXCXEWOHFM-UHFFFAOYSA-N
MW537.66 g/mol
LogP2.06
Rot. Bonds7

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 133168051) has the molecular formula C24H31N3O7S2 and a molecular weight of 537.66 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID133168051
Molecular FormulaC24H31N3O7S2
Molecular Weight537.66 g/mol
Exact Mass537.16
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C24H31N3O7S2/c1-18-5-7-20(8-6-18)35(29,30)27-11-3-4-19(17-27)24(28)25-22-16-21(9-10-23(22)33-2)36(31,32)26-12-14-34-15-13-26/h5-10,16,19H,3-4,11-15,17H2,1-2H3,(H,25,28)
InChIKeyYIWADXCXEWOHFM-UHFFFAOYSA-N
XLogP2.06
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168030
(3R)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078448
N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151849
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156324
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
N-[2-methoxy-5-[3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 24604869
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41339354
(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 8746747
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861835
N-(5-bromo-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55906809
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660568

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 133168051) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is YIWADXCXEWOHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O7S2/c1-18-5-7-20(8-6-18)35(29,30)27-11-3-4-19(17-27)24(28)25-22-16-21(9-10-23(22)33-2)36(31,32)26-12-14-34-15-13-26/h5-10,16,19H,3-4,11-15,17H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 537.66 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 133168051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).