3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide

C87H113FN12O10S4 — CID 159037215

IUPAC3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide
SMILESCOc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1CS(C)(=O)=O.Cc1ncc(-c2ccc(NS(C)(=O)=O)cc2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)c(F)c2)nc1C(C)(C)C.Cc1ncc(-c2cccc(CS(=O)(=O)C3CC3)c2)nc1C(C)(C)C.Cc1ncc(-c2cncc(CS(C)(=O)=O)c2)nc1C(C)(C)C
InChIInChI=1S/C19H24N2O2S.C18H23FN2O.C18H24N2O3S.2C16H21N3O2S/c1-13-18(19(2,3)4)21-17(11-20-13)15-7-5-6-14(10-15)12-24(22,23)16-8-9-16;1-11(2)22-16-8-7-13(9-14(16)19)15-10-20-12(3)17(21-15)18(4,5)6;1-12-17(18(2,3)4)20-15(10-19-12)13-7-8-16(23-5)14(9-13)11-24(6,21)22;1-11-15(16(2,3)4)19-14(9-18-11)13-6-12(7-17-8-13)10-22(5,20)21;1-11-15(16(2,3)4)18-14(10-17-11)12-6-8-13(9-7-12)19-22(5,20)21/h5-7,10-11,16H,8-9,12H2,1-4H3;7-11H,1-6H3;7-10H,11H2,1-6H3;6-9H,10H2,1-5H3;6-10,19H,1-5H3
InChIKeyJVPIJOUIQBFOIX-UHFFFAOYSA-N
MW1634.20 g/mol
LogP17.62
Rot. Bonds17

About 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide

3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide (PubChem CID 159037215) has the molecular formula C87H113FN12O10S4 and a molecular weight of 1634.20 g/mol. Its IUPAC name is 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide
PubChem CID159037215
Molecular FormulaC87H113FN12O10S4
Molecular Weight1634.20 g/mol
Exact Mass1632.76
IUPAC Name3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide
SMILESCOc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1CS(C)(=O)=O.Cc1ncc(-c2ccc(NS(C)(=O)=O)cc2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)c(F)c2)nc1C(C)(C)C.Cc1ncc(-c2cccc(CS(=O)(=O)C3CC3)c2)nc1C(C)(C)C.Cc1ncc(-c2cncc(CS(C)(=O)=O)c2)nc1C(C)(C)C
InChIInChI=1S/C19H24N2O2S.C18H23FN2O.C18H24N2O3S.2C16H21N3O2S/c1-13-18(19(2,3)4)21-17(11-20-13)15-7-5-6-14(10-15)12-24(22,23)16-8-9-16;1-11(2)22-16-8-7-13(9-14(16)19)15-10-20-12(3)17(21-15)18(4,5)6;1-12-17(18(2,3)4)20-15(10-19-12)13-7-8-16(23-5)14(9-13)11-24(6,21)22;1-11-15(16(2,3)4)19-14(9-18-11)13-6-12(7-17-8-13)10-22(5,20)21;1-11-15(16(2,3)4)18-14(10-17-11)12-6-8-13(9-7-12)19-22(5,20)21/h5-7,10-11,16H,8-9,12H2,1-4H3;7-11H,1-6H3;7-10H,11H2,1-6H3;6-9H,10H2,1-5H3;6-10,19H,1-5H3
InChIKeyJVPIJOUIQBFOIX-UHFFFAOYSA-N
XLogP17.62
TPSA308.84 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001634.20
LogP ≤ 517.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide (CID 159037215) is 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide is COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1CS(C)(=O)=O.Cc1ncc(-c2ccc(NS(C)(=O)=O)cc2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)c(F)c2)nc1C(C)(C)C.Cc1ncc(-c2cccc(CS(=O)(=O)C3CC3)c2)nc1C(C)(C)C.Cc1ncc(-c2cncc(CS(C)(=O)=O)c2)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide?
The InChIKey is JVPIJOUIQBFOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.C18H23FN2O.C18H24N2O3S.2C16H21N3O2S/c1-13-18(19(2,3)4)21-17(11-20-13)15-7-5-6-14(10-15)12-24(22,23)16-8-9-16;1-11(2)22-16-8-7-13(9-14(16)19)15-10-20-12(3)17(21-15)18(4,5)6;1-12-17(18(2,3)4)20-15(10-19-12)13-7-8-16(23-5)14(9-13)11-24(6,21)22;1-11-15(16(2,3)4)19-14(9-18-11)13-6-12(7-17-8-13)10-22(5,20)21;1-11-15(16(2,3)4)18-14(10-17-11)12-6-8-13(9-7-12)19-22(5,20)21/h5-7,10-11,16H,8-9,12H2,1-4H3;7-11H,1-6H3;7-10H,11H2,1-6H3;6-9H,10H2,1-5H3;6-10,19H,1-5H3.
What are the key properties of 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide?
3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide has a molecular weight of 1634.20 g/mol, XLogP of 17.62, 17 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 159037215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).