6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide

C20H24N4O5S — CID 90092187

IUPAC6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1ccc2cc([C@@](O)(CCO)c3cn(S(=O)(=O)N(C)C)cn3)ccc2c1
InChIInChI=1S/C20H24N4O5S/c1-21-19(26)16-5-4-15-11-17(7-6-14(15)10-16)20(27,8-9-25)18-12-24(13-22-18)30(28,29)23(2)3/h4-7,10-13,25,27H,8-9H2,1-3H3,(H,21,26)/t20-/m0/s1
InChIKeyDFDLARMZYUAMCW-FQEVSTJZSA-N
MW432.50 g/mol
LogP0.67
Rot. Bonds7

About 6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide

6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 90092187) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide
PubChem CID90092187
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1ccc2cc([C@@](O)(CCO)c3cn(S(=O)(=O)N(C)C)cn3)ccc2c1
InChIInChI=1S/C20H24N4O5S/c1-21-19(26)16-5-4-15-11-17(7-6-14(15)10-16)20(27,8-9-25)18-12-24(13-22-18)30(28,29)23(2)3/h4-7,10-13,25,27H,8-9H2,1-3H3,(H,21,26)/t20-/m0/s1
InChIKeyDFDLARMZYUAMCW-FQEVSTJZSA-N
XLogP0.67
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide (CID 90092187) is 6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide is CNC(=O)c1ccc2cc([C@@](O)(CCO)c3cn(S(=O)(=O)N(C)C)cn3)ccc2c1.
What is the InChIKey of 6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is DFDLARMZYUAMCW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-21-19(26)16-5-4-15-11-17(7-6-14(15)10-16)20(27,8-9-25)18-12-24(13-22-18)30(28,29)23(2)3/h4-7,10-13,25,27H,8-9H2,1-3H3,(H,21,26)/t20-/m0/s1.
What are the key properties of 6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide?
6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[1-(dimethylsulfamoyl)imidazol-4-yl]-1,3-dihydroxypropyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 90092187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).