N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide

C18H28N2O4S — CID 20967242

IUPACN-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide
SMILESCOc1ccc(S(=O)(=O)NCCCCCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-24-16-10-12-17(13-11-16)25(22,23)19-14-6-2-3-9-18(21)20-15-7-4-5-8-15/h10-13,15,19H,2-9,14H2,1H3,(H,20,21)
InChIKeyXELIQAOXEIYQJR-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.59
Rot. Bonds10

About N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide

N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide (PubChem CID 20967242) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide
PubChem CID20967242
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide
SMILESCOc1ccc(S(=O)(=O)NCCCCCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-24-16-10-12-17(13-11-16)25(22,23)19-14-6-2-3-9-18(21)20-15-7-4-5-8-15/h10-13,15,19H,2-9,14H2,1H3,(H,20,21)
InChIKeyXELIQAOXEIYQJR-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-methoxybenzenesulfonamide
CID 139937566
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-[3-(cyclohexylamino)-3-oxopropyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 55952589
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323906
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3639542
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide?
The IUPAC name of N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide (CID 20967242) is N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide.
What is the SMILES notation for N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide?
The canonical SMILES for N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide is COc1ccc(S(=O)(=O)NCCCCCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide?
The InChIKey is XELIQAOXEIYQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-24-16-10-12-17(13-11-16)25(22,23)19-14-6-2-3-9-18(21)20-15-7-4-5-8-15/h10-13,15,19H,2-9,14H2,1H3,(H,20,21).
What are the key properties of N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide?
N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide has a molecular weight of 368.50 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide is sourced from PubChem (CID 20967242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).