4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

C23H35FN4O5S — CID 45370457

IUPAC4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C23H35FN4O5S/c1-17(22(29)25-10-11-28-12-14-33-15-13-28)27-23(30)19-4-2-18(3-5-19)16-26-34(31,32)21-8-6-20(24)7-9-21/h6-9,17-19,26H,2-5,10-16H2,1H3,(H,25,29)(H,27,30)
InChIKeyHGBIUECTHWWSSL-UHFFFAOYSA-N
MW498.62 g/mol
LogP0.86
Rot. Bonds10

About 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 45370457) has the molecular formula C23H35FN4O5S and a molecular weight of 498.62 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
PubChem CID45370457
Molecular FormulaC23H35FN4O5S
Molecular Weight498.62 g/mol
Exact Mass498.23
IUPAC Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C23H35FN4O5S/c1-17(22(29)25-10-11-28-12-14-33-15-13-28)27-23(30)19-4-2-18(3-5-19)16-26-34(31,32)21-8-6-20(24)7-9-21/h6-9,17-19,26H,2-5,10-16H2,1H3,(H,25,29)(H,27,30)
InChIKeyHGBIUECTHWWSSL-UHFFFAOYSA-N
XLogP0.86
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649798
N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 3467303
1-(4-methoxyphenyl)sulfonyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 73258945
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649627
4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 20968626
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 71710458
N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 124649867
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 5323340
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 97263064
4-(benzenesulfonamidomethyl)-N-[(2S)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]cyclohexane-1-carboxamide
CID 41111646
4-(benzenesulfonamidomethyl)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 45371248
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (CID 45370457) is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is HGBIUECTHWWSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN4O5S/c1-17(22(29)25-10-11-28-12-14-33-15-13-28)27-23(30)19-4-2-18(3-5-19)16-26-34(31,32)21-8-6-20(24)7-9-21/h6-9,17-19,26H,2-5,10-16H2,1H3,(H,25,29)(H,27,30).
What are the key properties of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 498.62 g/mol, XLogP of 0.86, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 45370457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).