N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide

C16H25NO4S — CID 90623438

IUPACN-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)C2CCCCC2)OC)c1
InChIInChI=1S/C16H25NO4S/c1-20-14-8-6-7-13(11-14)16(21-2)12-17-22(18,19)15-9-4-3-5-10-15/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3
InChIKeyLHOOPGCVSOJIIR-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.63
Rot. Bonds7

About N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide (PubChem CID 90623438) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide
PubChem CID90623438
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)C2CCCCC2)OC)c1
InChIInChI=1S/C16H25NO4S/c1-20-14-8-6-7-13(11-14)16(21-2)12-17-22(18,19)15-9-4-3-5-10-15/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3
InChIKeyLHOOPGCVSOJIIR-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64675202
2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 90623505
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168553
2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168532
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 90623533
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302059
N'-cyclopropyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168551
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543
2-cyclohexyloxy-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 62106648
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 62107638

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide (CID 90623438) is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide is COc1cccc(C(CNS(=O)(=O)C2CCCCC2)OC)c1.
What is the InChIKey of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide?
The InChIKey is LHOOPGCVSOJIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-20-14-8-6-7-13(11-14)16(21-2)12-17-22(18,19)15-9-4-3-5-10-15/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3.
What are the key properties of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide?
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide is sourced from PubChem (CID 90623438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).