N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C25H41N3O4S — CID 43044280

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCC(CC(C)C)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C25H41N3O4S/c1-18(2)14-23(27-10-12-32-13-11-27)17-26-25(29)22-6-8-28(9-7-22)33(30,31)24-20(4)15-19(3)16-21(24)5/h15-16,18,22-23H,6-14,17H2,1-5H3,(H,26,29)
InChIKeyGGIGKBRMHSBOCA-UHFFFAOYSA-N
MW479.69 g/mol
LogP2.88
Rot. Bonds8

About N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 43044280) has the molecular formula C25H41N3O4S and a molecular weight of 479.69 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID43044280
Molecular FormulaC25H41N3O4S
Molecular Weight479.69 g/mol
Exact Mass479.28
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCC(CC(C)C)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C25H41N3O4S/c1-18(2)14-23(27-10-12-32-13-11-27)17-26-25(29)22-6-8-28(9-7-22)33(30,31)24-20(4)15-19(3)16-21(24)5/h15-16,18,22-23H,6-14,17H2,1-5H3,(H,26,29)
InChIKeyGGIGKBRMHSBOCA-UHFFFAOYSA-N
XLogP2.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30470697
N-(2-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55612058
N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1090427
N-[3-oxo-3-(propan-2-ylamino)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55599753
N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24633664
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26532730
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55588225
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956
N-[(1-phenylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46403152
N-[2-(furan-2-carbonylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 43049249

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 43044280) is N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCC(CC(C)C)N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GGIGKBRMHSBOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O4S/c1-18(2)14-23(27-10-12-32-13-11-27)17-26-25(29)22-6-8-28(9-7-22)33(30,31)24-20(4)15-19(3)16-21(24)5/h15-16,18,22-23H,6-14,17H2,1-5H3,(H,26,29).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 479.69 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43044280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).