N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide

C18H27N3O3S — CID 99696816

IUPACN-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCc2cccc(COC(C)(C)C)c2)c1
InChIInChI=1S/C18H27N3O3S/c1-14(2)21-11-17(19-13-21)25(22,23)20-10-15-7-6-8-16(9-15)12-24-18(3,4)5/h6-9,11,13-14,20H,10,12H2,1-5H3
InChIKeyOWTLMEHYACWPGP-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.26
Rot. Bonds7

About N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 99696816) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID99696816
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCc2cccc(COC(C)(C)C)c2)c1
InChIInChI=1S/C18H27N3O3S/c1-14(2)21-11-17(19-13-21)25(22,23)20-10-15-7-6-8-16(9-15)12-24-18(3,4)5/h6-9,11,13-14,20H,10,12H2,1-5H3
InChIKeyOWTLMEHYACWPGP-UHFFFAOYSA-N
XLogP3.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
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CID 51107732
N-[[3-(aminomethyl)phenyl]methyl]-1-ethylimidazole-4-sulfonamide
CID 79373528
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122254127
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 119107430
N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 97326472
3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylsulfamoyl]-N-prop-2-enylbenzamide
CID 86880808
N-[(3-cyanophenyl)methyl]-1-ethylimidazole-4-sulfonamide
CID 79372852
1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
CID 119110641
1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 110922178
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 100689543
N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 99696816) is N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NCc2cccc(COC(C)(C)C)c2)c1.
What is the InChIKey of N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is OWTLMEHYACWPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14(2)21-11-17(19-13-21)25(22,23)20-10-15-7-6-8-16(9-15)12-24-18(3,4)5/h6-9,11,13-14,20H,10,12H2,1-5H3.
What are the key properties of N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 365.50 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 99696816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).