2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide

C19H30N2O4S — CID 2290906

IUPAC2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H30N2O4S/c1-16-9-11-18(12-10-16)26(23,24)21(17-7-4-3-5-8-17)15-19(22)20-13-6-14-25-2/h9-12,17H,3-8,13-15H2,1-2H3,(H,20,22)
InChIKeyHUTKPNIRZDSCFI-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.47
Rot. Bonds9

About 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 2290906) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
PubChem CID2290906
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H30N2O4S/c1-16-9-11-18(12-10-16)26(23,24)21(17-7-4-3-5-8-17)15-19(22)20-13-6-14-25-2/h9-12,17H,3-8,13-15H2,1-2H3,(H,20,22)
InChIKeyHUTKPNIRZDSCFI-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide (CID 2290906) is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is HUTKPNIRZDSCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-16-9-11-18(12-10-16)26(23,24)21(17-7-4-3-5-8-17)15-19(22)20-13-6-14-25-2/h9-12,17H,3-8,13-15H2,1-2H3,(H,20,22).
What are the key properties of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide?
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 382.53 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 2290906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).