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

C23H37N3O4S — CID 58958368

IUPAC4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
SMILESCCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C23H37N3O4S/c1-5-18(4)31(28,29)25-21-8-6-19(7-9-21)23(27)24-20-10-12-22(13-11-20)26-14-16(2)30-17(3)15-26/h10-13,16-19,21,25H,5-9,14-15H2,1-4H3,(H,24,27)/t16-,17+,18?,19?,21?
InChIKeyIWIJQKHDDIPHHE-BZQJJPTISA-N
MW451.63 g/mol
LogP3.52
Rot. Bonds7

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

4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide (PubChem CID 58958368) has the molecular formula C23H37N3O4S and a molecular weight of 451.63 g/mol. Its IUPAC name is 4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
PubChem CID58958368
Molecular FormulaC23H37N3O4S
Molecular Weight451.63 g/mol
Exact Mass451.25
IUPAC Name4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
SMILESCCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C23H37N3O4S/c1-5-18(4)31(28,29)25-21-8-6-19(7-9-21)23(27)24-20-10-12-22(13-11-20)26-14-16(2)30-17(3)15-26/h10-13,16-19,21,25H,5-9,14-15H2,1-4H3,(H,24,27)/t16-,17+,18?,19?,21?
InChIKeyIWIJQKHDDIPHHE-BZQJJPTISA-N
XLogP3.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 59582609
4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 70892650
N-[4-[(6S)-3-fluoro-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 59582570
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630080
N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629623
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630106
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630584
N-[4-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376519
4-(tert-butylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630310
(1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 59582638

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide (CID 58958368) is 4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide is CCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.
What is the InChIKey of 4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is IWIJQKHDDIPHHE-BZQJJPTISA-N. The full InChI is InChI=1S/C23H37N3O4S/c1-5-18(4)31(28,29)25-21-8-6-19(7-9-21)23(27)24-20-10-12-22(13-11-20)26-14-16(2)30-17(3)15-26/h10-13,16-19,21,25H,5-9,14-15H2,1-4H3,(H,24,27)/t16-,17+,18?,19?,21?.
What are the key properties of 4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide?
4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 451.63 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58958368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).