4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide

C21H33N3O4S — CID 20968626

IUPAC4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H33N3O4S/c25-21(22-11-4-12-24-13-15-28-16-14-24)19-9-7-18(8-10-19)17-23-29(26,27)20-5-2-1-3-6-20/h1-3,5-6,18-19,23H,4,7-17H2,(H,22,25)
InChIKeyDKGRRPDFRULLRM-UHFFFAOYSA-N
MW423.58 g/mol
LogP1.61
Rot. Bonds9

About 4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide

4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 20968626) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
PubChem CID20968626
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H33N3O4S/c25-21(22-11-4-12-24-13-15-28-16-14-24)19-9-7-18(8-10-19)17-23-29(26,27)20-5-2-1-3-6-20/h1-3,5-6,18-19,23H,4,7-17H2,(H,22,25)
InChIKeyDKGRRPDFRULLRM-UHFFFAOYSA-N
XLogP1.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 5323340
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 45370457
4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 60846570
4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 6624440
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
N-(3-morpholin-4-ylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 51155935
4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 129060912
4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide (CID 20968626) is 4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide is O=C(NCCCN1CCOCC1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is DKGRRPDFRULLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S/c25-21(22-11-4-12-24-13-15-28-16-14-24)19-9-7-18(8-10-19)17-23-29(26,27)20-5-2-1-3-6-20/h1-3,5-6,18-19,23H,4,7-17H2,(H,22,25).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20968626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).