tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate

C17H20N2O4S — CID 18549242

IUPACtert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cn1
InChIInChI=1S/C17H20N2O4S/c1-17(2,3)23-16(20)19-15-10-9-12(11-18-15)13-7-5-6-8-14(13)24(4,21)22/h5-11H,1-4H3,(H,18,19,20)
InChIKeyVDOHGNUGROYDCF-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.50
Rot. Bonds3

About tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate

tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate (PubChem CID 18549242) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate
PubChem CID18549242
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nametert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cn1
InChIInChI=1S/C17H20N2O4S/c1-17(2,3)23-16(20)19-15-10-9-12(11-18-15)13-7-5-6-8-14(13)24(4,21)22/h5-11H,1-4H3,(H,18,19,20)
InChIKeyVDOHGNUGROYDCF-UHFFFAOYSA-N
XLogP3.50
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate
CID 166552767
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426
tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
CID 86671106
tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
CID 103936587
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(methylsulfamoyl)phenyl]phenyl]carbamate
CID 67165098
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
CID 174419990
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate (CID 18549242) is tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cn1.
What is the InChIKey of tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate?
The InChIKey is VDOHGNUGROYDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-17(2,3)23-16(20)19-15-10-9-12(11-18-15)13-7-5-6-8-14(13)24(4,21)22/h5-11H,1-4H3,(H,18,19,20).
What are the key properties of tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate?
tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate has a molecular weight of 348.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 18549242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).