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

C14H23NO4S — CID 110789714

IUPACN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ccc(OC)c(C)c1OC
InChIInChI=1S/C14H23NO4S/c1-5-10-20(16,17)15-9-8-12-6-7-13(18-3)11(2)14(12)19-4/h6-7,15H,5,8-10H2,1-4H3
InChIKeyRYBICFGLMAIWOQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.88
Rot. Bonds8

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

N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide (PubChem CID 110789714) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide
PubChem CID110789714
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ccc(OC)c(C)c1OC
InChIInChI=1S/C14H23NO4S/c1-5-10-20(16,17)15-9-8-12-6-7-13(18-3)11(2)14(12)19-4/h6-7,15H,5,8-10H2,1-4H3
InChIKeyRYBICFGLMAIWOQ-UHFFFAOYSA-N
XLogP1.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110789718
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide
CID 110789542
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159
N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 110789776
1-cyano-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]formamide
CID 115172516
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
CID 110788053
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 110324093
1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
CID 110775953
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 106261839
N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 110787616
1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
CID 71659103

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide (CID 110789714) is N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1ccc(OC)c(C)c1OC.
What is the InChIKey of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is RYBICFGLMAIWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-5-10-20(16,17)15-9-8-12-6-7-13(18-3)11(2)14(12)19-4/h6-7,15H,5,8-10H2,1-4H3.
What are the key properties of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide?
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.88, 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]propane-1-sulfonamide is sourced from PubChem (CID 110789714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).