oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate

C22H28N4O5S2 — CID 155115675

IUPACoxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
SMILESCCNS(=O)c1cc(C(N)=O)ccc1-c1cnc(C2CCC(NC(=O)OC3COC3)CC2)s1
InChIInChI=1S/C22H28N4O5S2/c1-2-25-33(29)19-9-14(20(23)27)5-8-17(19)18-10-24-21(32-18)13-3-6-15(7-4-13)26-22(28)31-16-11-30-12-16/h5,8-10,13,15-16,25H,2-4,6-7,11-12H2,1H3,(H2,23,27)(H,26,28)
InChIKeyQMGRAVKMKQDXHB-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.69
Rot. Bonds8

About oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate

oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 155115675) has the molecular formula C22H28N4O5S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Nameoxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
PubChem CID155115675
Molecular FormulaC22H28N4O5S2
Molecular Weight492.62 g/mol
Exact Mass492.15
IUPAC Nameoxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
SMILESCCNS(=O)c1cc(C(N)=O)ccc1-c1cnc(C2CCC(NC(=O)OC3COC3)CC2)s1
InChIInChI=1S/C22H28N4O5S2/c1-2-25-33(29)19-9-14(20(23)27)5-8-17(19)18-10-24-21(32-18)13-3-6-15(7-4-13)26-22(28)31-16-11-30-12-16/h5,8-10,13,15-16,25H,2-4,6-7,11-12H2,1H3,(H2,23,27)(H,26,28)
InChIKeyQMGRAVKMKQDXHB-UHFFFAOYSA-N
XLogP2.69
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate with MolForge

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Related Compounds

5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate
CID 155693539
propan-2-yl N-[4-[5-[4-carbamoyl-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100692
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate
CID 155693517
tert-butyl N-[4-[5-[4-bromo-2-(ethylaminomethylsulfinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 163411458
2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide
CID 155693735
oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115442
butan-2-yl N-[4-[5-[4-bromo-2-(tert-butylamino)sulfanylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262603
propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169263311
propan-2-yl N-[4-[5-[4-[(benzylamino)oxyamino]-2-tert-butylsulfinamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167083709
oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 163582997
propan-2-yl N-[4-[5-[4-(benzylcarbamoylamino)-2-tert-butylsulfinamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 138462886
2,2-dimethoxyethanamine;3-(ethylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]benzoic acid;propan-2-yl N-[4-[5-[4-(4,4-dimethoxybutanoyl)-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 159184710

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The IUPAC name of oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 155115675) is oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate.
What is the SMILES notation for oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The canonical SMILES for oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate is CCNS(=O)c1cc(C(N)=O)ccc1-c1cnc(C2CCC(NC(=O)OC3COC3)CC2)s1.
What is the InChIKey of oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The InChIKey is QMGRAVKMKQDXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S2/c1-2-25-33(29)19-9-14(20(23)27)5-8-17(19)18-10-24-21(32-18)13-3-6-15(7-4-13)26-22(28)31-16-11-30-12-16/h5,8-10,13,15-16,25H,2-4,6-7,11-12H2,1H3,(H2,23,27)(H,26,28).
What are the key properties of oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?
oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 492.62 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 155115675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).