N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide

C20H27NO4S — CID 159035383

IUPACN-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide
SMILESCOc1cccc(OCCCCc2ccc([C@@H](C)NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H27NO4S/c1-16(21-26(3,22)23)18-12-10-17(11-13-18)7-4-5-14-25-20-9-6-8-19(15-20)24-2/h6,8-13,15-16,21H,4-5,7,14H2,1-3H3/t16-/m1/s1
InChIKeyJVJVXWOHZDPESE-MRXNPFEDSA-N
MW377.51 g/mol
LogP3.71
Rot. Bonds10

About N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide

N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide (PubChem CID 159035383) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide
PubChem CID159035383
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC NameN-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide
SMILESCOc1cccc(OCCCCc2ccc([C@@H](C)NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H27NO4S/c1-16(21-26(3,22)23)18-12-10-17(11-13-18)7-4-5-14-25-20-9-6-8-19(15-20)24-2/h6,8-13,15-16,21H,4-5,7,14H2,1-3H3/t16-/m1/s1
InChIKeyJVJVXWOHZDPESE-MRXNPFEDSA-N
XLogP3.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.71
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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Related Compounds

N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide
CID 70787021
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 2184702
N-[2-[[4-[3-(3-methoxyphenyl)propoxy]phenyl]methylamino]propyl]methanesulfonamide
CID 67782256
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204679
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445
(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
CID 104893811
4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium
CID 2184628

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide (CID 159035383) is N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide is COc1cccc(OCCCCc2ccc([C@@H](C)NS(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is JVJVXWOHZDPESE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-16(21-26(3,22)23)18-12-10-17(11-13-18)7-4-5-14-25-20-9-6-8-19(15-20)24-2/h6,8-13,15-16,21H,4-5,7,14H2,1-3H3/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide?
N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[4-(3-methoxyphenoxy)butyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 159035383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).