N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide

C14H23NO3S — CID 110781255

IUPACN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C14H23NO3S/c1-6-19(16,17)15-9-12-8-13(10(2)3)14(18-5)7-11(12)4/h7-8,10,15H,6,9H2,1-5H3
InChIKeyVVWHGHWMFXHNAA-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.57
Rot. Bonds6

About N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide

N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide (PubChem CID 110781255) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
PubChem CID110781255
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C14H23NO3S/c1-6-19(16,17)15-9-12-8-13(10(2)3)14(18-5)7-11(12)4/h7-8,10,15H,6,9H2,1-5H3
InChIKeyVVWHGHWMFXHNAA-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
CID 110783168
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
N-(cyanomethyl)-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 96665573
3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122097
1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene
CID 110780838
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513604
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711916
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
CID 110788053

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide (CID 110781255) is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide?
The InChIKey is VVWHGHWMFXHNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-6-19(16,17)15-9-12-8-13(10(2)3)14(18-5)7-11(12)4/h7-8,10,15H,6,9H2,1-5H3.
What are the key properties of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide?
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 110781255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).