N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide

C13H21NO3S — CID 95733792

IUPACN-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
SMILESCCc1ccc([C@H](C)NS(=O)(=O)CCOC)cc1
InChIInChI=1S/C13H21NO3S/c1-4-12-5-7-13(8-6-12)11(2)14-18(15,16)10-9-17-3/h5-8,11,14H,4,9-10H2,1-3H3/t11-/m0/s1
InChIKeyDRESYVQJRSMPPE-NSHDSACASA-N
MW271.38 g/mol
LogP1.88
Rot. Bonds7

About N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide

N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide (PubChem CID 95733792) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
PubChem CID95733792
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
SMILESCCc1ccc([C@H](C)NS(=O)(=O)CCOC)cc1
InChIInChI=1S/C13H21NO3S/c1-4-12-5-7-13(8-6-12)11(2)14-18(15,16)10-9-17-3/h5-8,11,14H,4,9-10H2,1-3H3/t11-/m0/s1
InChIKeyDRESYVQJRSMPPE-NSHDSACASA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981
3-cyano-N-[1-(4-ethylphenyl)ethyl]propane-1-sulfonamide
CID 56787518
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
N-[1-(4-bromophenyl)ethyl]-3-methoxypropane-1-sulfonamide
CID 55171538
benzyl 3-[[(1R)-1-(4-ethylphenyl)ethyl]sulfamoyl]propanoate
CID 97059231
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 95733866
N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide
CID 97004108
N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide
CID 97004107
1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 133161036
1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 95733790

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide (CID 95733792) is N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide is CCc1ccc([C@H](C)NS(=O)(=O)CCOC)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide?
The InChIKey is DRESYVQJRSMPPE-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-12-5-7-13(8-6-12)11(2)14-18(15,16)10-9-17-3/h5-8,11,14H,4,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide?
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 95733792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).