N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C23H35N3O5S — CID 20629623

IUPACN-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC1CN(C(=O)c2cccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)c2)CC(C)O1
InChIInChI=1S/C23H35N3O5S/c1-15(2)32(29,30)25-20-10-8-18(9-11-20)22(27)24-21-7-5-6-19(12-21)23(28)26-13-16(3)31-17(4)14-26/h5-7,12,15-18,20,25H,8-11,13-14H2,1-4H3,(H,24,27)
InChIKeyOEZOFBOYILVZMW-UHFFFAOYSA-N
MW465.62 g/mol
LogP2.76
Rot. Bonds6

About N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20629623) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20629623
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC NameN-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC1CN(C(=O)c2cccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)c2)CC(C)O1
InChIInChI=1S/C23H35N3O5S/c1-15(2)32(29,30)25-20-10-8-18(9-11-20)22(27)24-21-7-5-6-19(12-21)23(28)26-13-16(3)31-17(4)14-26/h5-7,12,15-18,20,25H,8-11,13-14H2,1-4H3,(H,24,27)
InChIKeyOEZOFBOYILVZMW-UHFFFAOYSA-N
XLogP2.76
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 20629626
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630080
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 58958368
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-[4-[(6S)-3-fluoro-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 59582570
N-[3-[(3R)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512641
N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512642
N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 59582609
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
CID 119637482
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20629623) is N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CC1CN(C(=O)c2cccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)c2)CC(C)O1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is OEZOFBOYILVZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-15(2)32(29,30)25-20-10-8-18(9-11-20)22(27)24-21-7-5-6-19(12-21)23(28)26-13-16(3)31-17(4)14-26/h5-7,12,15-18,20,25H,8-11,13-14H2,1-4H3,(H,24,27).
What are the key properties of N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20629623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).