3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide

C17H26N2O5S — CID 23553786

IUPAC3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(=O)NO)CC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O5S/c1-24-15-7-9-16(10-8-15)25(22,23)19(12-11-17(20)18-21)13-14-5-3-2-4-6-14/h7-10,14,21H,2-6,11-13H2,1H3,(H,18,20)
InChIKeyNXTZCBLDIXQRPJ-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.16
Rot. Bonds8

About 3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide

3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 23553786) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID23553786
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(=O)NO)CC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O5S/c1-24-15-7-9-16(10-8-15)25(22,23)19(12-11-17(20)18-21)13-14-5-3-2-4-6-14/h7-10,14,21H,2-6,11-13H2,1H3,(H,18,20)
InChIKeyNXTZCBLDIXQRPJ-UHFFFAOYSA-N
XLogP2.16
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide (CID 23553786) is 3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide is COc1ccc(S(=O)(=O)N(CCC(=O)NO)CC2CCCCC2)cc1.
What is the InChIKey of 3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is NXTZCBLDIXQRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-24-15-7-9-16(10-8-15)25(22,23)19(12-11-17(20)18-21)13-14-5-3-2-4-6-14/h7-10,14,21H,2-6,11-13H2,1H3,(H,18,20).
What are the key properties of 3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 370.47 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 23553786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).