N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide

C18H22N4O4S — CID 4041042

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C18H22N4O4S/c1-13-11-20-16(12-19-13)18(23)21-15-10-14(6-7-17(15)26-2)27(24,25)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyWRBMUYKSENAFMV-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.22
Rot. Bonds5

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide (PubChem CID 4041042) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide
PubChem CID4041042
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C18H22N4O4S/c1-13-11-20-16(12-19-13)18(23)21-15-10-14(6-7-17(15)26-2)27(24,25)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyWRBMUYKSENAFMV-UHFFFAOYSA-N
XLogP2.22
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide (CID 4041042) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cnc(C)cn1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is WRBMUYKSENAFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-13-11-20-16(12-19-13)18(23)21-15-10-14(6-7-17(15)26-2)27(24,25)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 4041042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).