N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide

C18H23NO3S — CID 113099122

IUPACN-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCc1ccccc1OCCNS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C18H23NO3S/c1-16-8-5-6-12-18(16)22-14-13-19-23(20,21)15-7-11-17-9-3-2-4-10-17/h2-6,8-10,12,19H,7,11,13-15H2,1H3
InChIKeyHJVMPTMPQPQJQV-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.93
Rot. Bonds9

About N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide

N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide (PubChem CID 113099122) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
PubChem CID113099122
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCc1ccccc1OCCNS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C18H23NO3S/c1-16-8-5-6-12-18(16)22-14-13-19-23(20,21)15-7-11-17-9-3-2-4-10-17/h2-6,8-10,12,19H,7,11,13-15H2,1H3
InChIKeyHJVMPTMPQPQJQV-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide
CID 113101297
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113103120
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide
CID 113100955
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 47320480
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
CID 54801188
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110718507
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide (CID 113099122) is N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide is Cc1ccccc1OCCNS(=O)(=O)CCCc1ccccc1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is HJVMPTMPQPQJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-16-8-5-6-12-18(16)22-14-13-19-23(20,21)15-7-11-17-9-3-2-4-10-17/h2-6,8-10,12,19H,7,11,13-15H2,1H3.
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide?
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 333.45 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113099122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).