N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide

C14H19N3O3S — CID 97417819

IUPACN-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCO[C@H](CNS(=O)(=O)c1cn(C)cn1)c1ccccc1C
InChIInChI=1S/C14H19N3O3S/c1-11-6-4-5-7-12(11)13(20-3)8-16-21(18,19)14-9-17(2)10-15-14/h4-7,9-10,13,16H,8H2,1-3H3/t13-/m1/s1
InChIKeyVFAWTKHGVGFEBH-CYBMUJFWSA-N
MW309.39 g/mol
LogP1.39
Rot. Bonds6

About N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide

N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 97417819) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID97417819
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCO[C@H](CNS(=O)(=O)c1cn(C)cn1)c1ccccc1C
InChIInChI=1S/C14H19N3O3S/c1-11-6-4-5-7-12(11)13(20-3)8-16-21(18,19)14-9-17(2)10-15-14/h4-7,9-10,13,16H,8H2,1-3H3/t13-/m1/s1
InChIKeyVFAWTKHGVGFEBH-CYBMUJFWSA-N
XLogP1.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide
CID 91631055
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 90598894
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 97417781
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 97415042
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 90598879
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90598926
N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 66175851
N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
CID 63730763

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide (CID 97417819) is N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide is CO[C@H](CNS(=O)(=O)c1cn(C)cn1)c1ccccc1C.
What is the InChIKey of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is VFAWTKHGVGFEBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11-6-4-5-7-12(11)13(20-3)8-16-21(18,19)14-9-17(2)10-15-14/h4-7,9-10,13,16H,8H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 97417819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).