N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C18H27N3O4S — CID 22552749

IUPACN-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)N3CCOCC3)C2)c(C)c1
InChIInChI=1S/C18H27N3O4S/c1-14-5-6-17(15(2)12-14)19-18(22)16-4-3-7-21(13-16)26(23,24)20-8-10-25-11-9-20/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,19,22)
InChIKeyFMDRILRDMAVVSW-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.53
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 22552749) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID22552749
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)N3CCOCC3)C2)c(C)c1
InChIInChI=1S/C18H27N3O4S/c1-14-5-6-17(15(2)12-14)19-18(22)16-4-3-7-21(13-16)26(23,24)20-8-10-25-11-9-20/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,19,22)
InChIKeyFMDRILRDMAVVSW-UHFFFAOYSA-N
XLogP1.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
(3R)-N-(2,4-dimethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641406
N-(2,4-dimethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50808701
(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780070
N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55615309
(3S)-N-(2-bromo-4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25490278
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168051
(3S)-1-[[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl]sulfonyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 93053484
(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 94243888
N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide
CID 131961579
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
(3R)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075371

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 22552749) is N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)N3CCOCC3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is FMDRILRDMAVVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-14-5-6-17(15(2)12-14)19-18(22)16-4-3-7-21(13-16)26(23,24)20-8-10-25-11-9-20/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,19,22).
What are the key properties of N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 22552749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).