N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C25H41N3O4S — CID 59582609

IUPACN-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCCCCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CC(C)O[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C25H41N3O4S/c1-5-6-7-20(4)33(30,31)27-23-10-8-21(9-11-23)25(29)26-22-12-14-24(15-13-22)28-16-18(2)32-19(3)17-28/h12-15,18-21,23,27H,5-11,16-17H2,1-4H3,(H,26,29)/t18-,19?,20?,21?,23?/m0/s1
InChIKeyFXEIVPIGOOBHHE-OBHCEDRKSA-N
MW479.69 g/mol
LogP4.30
Rot. Bonds9

About N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 59582609) has the molecular formula C25H41N3O4S and a molecular weight of 479.69 g/mol. Its IUPAC name is N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID59582609
Molecular FormulaC25H41N3O4S
Molecular Weight479.69 g/mol
Exact Mass479.28
IUPAC NameN-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCCCCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CC(C)O[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C25H41N3O4S/c1-5-6-7-20(4)33(30,31)27-23-10-8-21(9-11-23)25(29)26-22-12-14-24(15-13-22)28-16-18(2)32-19(3)17-28/h12-15,18-21,23,27H,5-11,16-17H2,1-4H3,(H,26,29)/t18-,19?,20?,21?,23?/m0/s1
InChIKeyFXEIVPIGOOBHHE-OBHCEDRKSA-N
XLogP4.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.69
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-Phenylmethanesulfonyl-piperidine-4-carboxylic acid (4-morpholin-4-yl-phenyl)-amide
CID 644779
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CID 1105149
2-(4-Morpholinoanilino)-2-oxo-1-phenyl-ethanesulfonic acid
CID 124115156
3-cyclohexyl-N-(2-((4-phenylpiperazin-1-yl)sulfonyl)ethyl)propanamide
CID 18565476
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanamide
CID 26639507
(2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 155168657
US10287305, Example 236
CID 130310291
N-{2-[(4-phenylpiperazin-1-yl)sulfonyl]ethyl}cyclohexanecarboxamide
CID 7188789
4-[ethyl(ethylsulfonyl)amino]-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 50946679
4-[ethyl(ethylsulfonyl)amino]-N-[3-(morpholin-4-yl)propyl]benzamide
CID 53278570
N-(4-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)cyclohexanecarboxamide
CID 7584581
4-(methylsulfonamidomethyl)-N-(4-morpholinophenyl)cyclohexanecarboxamide
CID 45503954

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 59582609) is N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CCCCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CC(C)O[C@@H](C)C3)cc2)CC1.
What is the InChIKey of N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is FXEIVPIGOOBHHE-OBHCEDRKSA-N. The full InChI is InChI=1S/C25H41N3O4S/c1-5-6-7-20(4)33(30,31)27-23-10-8-21(9-11-23)25(29)26-22-12-14-24(15-13-22)28-16-18(2)32-19(3)17-28/h12-15,18-21,23,27H,5-11,16-17H2,1-4H3,(H,26,29)/t18-,19?,20?,21?,23?/m0/s1.
What are the key properties of N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 479.69 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 59582609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).