N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide

C18H23NO4S — CID 110789718

IUPACN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)Cc2ccccc2)c(OC)c1C
InChIInChI=1S/C18H23NO4S/c1-14-17(22-2)10-9-16(18(14)23-3)11-12-19-24(20,21)13-15-7-5-4-6-8-15/h4-10,19H,11-13H2,1-3H3
InChIKeyQXWADRBJUGTHSF-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.67
Rot. Bonds8

About N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide

N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 110789718) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide
PubChem CID110789718
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)Cc2ccccc2)c(OC)c1C
InChIInChI=1S/C18H23NO4S/c1-14-17(22-2)10-9-16(18(14)23-3)11-12-19-24(20,21)13-15-7-5-4-6-8-15/h4-10,19H,11-13H2,1-3H3
InChIKeyQXWADRBJUGTHSF-UHFFFAOYSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide
CID 110789714
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787472
2-(2,4-dimethoxy-3-methylphenyl)-N-(2-phenylethyl)acetamide
CID 110769821
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 31827805
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110755855
N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide
CID 139066918
1-cyano-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]formamide
CID 115172516
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
1-(1,2-benzoxazol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide
CID 90624426

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide (CID 110789718) is N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide is COc1ccc(CCNS(=O)(=O)Cc2ccccc2)c(OC)c1C.
What is the InChIKey of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is QXWADRBJUGTHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-14-17(22-2)10-9-16(18(14)23-3)11-12-19-24(20,21)13-15-7-5-4-6-8-15/h4-10,19H,11-13H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110789718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).