N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide

C15H25NO3S — CID 110789542

IUPACN-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H25NO3S/c1-5-10-20(17,18)16-9-8-13-6-7-14(12(2)3)11-15(13)19-4/h6-7,11-12,16H,5,8-10H2,1-4H3
InChIKeyMZQROIKFKOUJTM-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.69
Rot. Bonds8

About N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide

N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide (PubChem CID 110789542) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide
PubChem CID110789542
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H25NO3S/c1-5-10-20(17,18)16-9-8-13-6-7-14(12(2)3)11-15(13)19-4/h6-7,11-12,16H,5,8-10H2,1-4H3
InChIKeyMZQROIKFKOUJTM-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene
CID 110789543
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide
CID 110789714
2-(2-methoxy-4-propan-2-ylphenyl)ethylcarbamothioic S-acid
CID 115170285
2-[2-(2-methoxy-4-propan-2-ylphenyl)ethylamino]acetonitrile
CID 115131233
N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide
CID 110784198
N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 110789776
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
CID 112513250
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
CID 110788053
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 106261839
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 110324093

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide (CID 110789542) is N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1ccc(C(C)C)cc1OC.
What is the InChIKey of N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is MZQROIKFKOUJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-10-20(17,18)16-9-8-13-6-7-14(12(2)3)11-15(13)19-4/h6-7,11-12,16H,5,8-10H2,1-4H3.
What are the key properties of N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide?
N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 110789542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).