N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide

C25H33N3O4S — CID 43017891

IUPACN-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C25H33N3O4S/c1-20-10-12-22(13-11-20)33(30,31)28-14-6-5-9-24(28)25(29)26(2)19-21-7-3-4-8-23(21)27-15-17-32-18-16-27/h3-4,7-8,10-13,24H,5-6,9,14-19H2,1-2H3
InChIKeyWGWHWEFFBKPTSP-UHFFFAOYSA-N
MW471.62 g/mol
LogP3.03
Rot. Bonds6

About N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide

N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 43017891) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID43017891
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C25H33N3O4S/c1-20-10-12-22(13-11-20)33(30,31)28-14-6-5-9-24(28)25(29)26(2)19-21-7-3-4-8-23(21)27-15-17-32-18-16-27/h3-4,7-8,10-13,24H,5-6,9,14-19H2,1-2H3
InChIKeyWGWHWEFFBKPTSP-UHFFFAOYSA-N
XLogP3.03
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpyrrolidine-2-carboxamide
CID 42988130
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CID 38723759
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
(2S)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 32760834
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 43005135
1-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112790162
4-cyclohexyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 55416233
4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17398989
N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 15318368
(2S)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 31641558
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
CID 47021840
N-benzyl-N-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 18884771

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide (CID 43017891) is N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is WGWHWEFFBKPTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-20-10-12-22(13-11-20)33(30,31)28-14-6-5-9-24(28)25(29)26(2)19-21-7-3-4-8-23(21)27-15-17-32-18-16-27/h3-4,7-8,10-13,24H,5-6,9,14-19H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide?
N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 471.62 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 43017891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).