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

C24H37N3O5S — CID 20629626

IUPAC4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide
SMILESCC1CN(C(=O)c2cccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)c2)CC(C)O1
InChIInChI=1S/C24H37N3O5S/c1-16-14-27(15-17(2)32-16)23(29)19-7-6-8-21(13-19)25-22(28)18-9-11-20(12-10-18)26-33(30,31)24(3,4)5/h6-8,13,16-18,20,26H,9-12,14-15H2,1-5H3,(H,25,28)
InChIKeyXXJCWNSPIJJZKS-UHFFFAOYSA-N
MW479.64 g/mol
LogP3.15
Rot. Bonds5

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

4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 20629626) has the molecular formula C24H37N3O5S and a molecular weight of 479.64 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide
PubChem CID20629626
Molecular FormulaC24H37N3O5S
Molecular Weight479.64 g/mol
Exact Mass479.25
IUPAC Name4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide
SMILESCC1CN(C(=O)c2cccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)c2)CC(C)O1
InChIInChI=1S/C24H37N3O5S/c1-16-14-27(15-17(2)32-16)23(29)19-7-6-8-21(13-19)25-22(28)18-9-11-20(12-10-18)26-33(30,31)24(3,4)5/h6-8,13,16-18,20,26H,9-12,14-15H2,1-5H3,(H,25,28)
InChIKeyXXJCWNSPIJJZKS-UHFFFAOYSA-N
XLogP3.15
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.64
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629623
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 20629671
N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630370
[3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 59231469
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
CID 119637482
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630080
4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide
CID 20630750
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
4-(tert-butylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630310
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide (CID 20629626) is 4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide is CC1CN(C(=O)c2cccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)c2)CC(C)O1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is XXJCWNSPIJJZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5S/c1-16-14-27(15-17(2)32-16)23(29)19-7-6-8-21(13-19)25-22(28)18-9-11-20(12-10-18)26-33(30,31)24(3,4)5/h6-8,13,16-18,20,26H,9-12,14-15H2,1-5H3,(H,25,28).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 479.64 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20629626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).