1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide

C26H30N2O5S — CID 147137112

IUPAC1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1cccc(S(=O)(=O)CCc2cc(=O)c(OCc3ccccc3)c(C(=O)NC(C)C)n2C)c1
InChIInChI=1S/C26H30N2O5S/c1-18(2)27-26(30)24-25(33-17-20-10-6-5-7-11-20)23(29)16-21(28(24)4)13-14-34(31,32)22-12-8-9-19(3)15-22/h5-12,15-16,18H,13-14,17H2,1-4H3,(H,27,30)
InChIKeyBRJPGBBGOKFYAJ-UHFFFAOYSA-N
MW482.60 g/mol
LogP3.43
Rot. Bonds9

About 1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide

1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 147137112) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide
PubChem CID147137112
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1cccc(S(=O)(=O)CCc2cc(=O)c(OCc3ccccc3)c(C(=O)NC(C)C)n2C)c1
InChIInChI=1S/C26H30N2O5S/c1-18(2)27-26(30)24-25(33-17-20-10-6-5-7-11-20)23(29)16-21(28(24)4)13-14-34(31,32)22-12-8-9-19(3)15-22/h5-12,15-16,18H,13-14,17H2,1-4H3,(H,27,30)
InChIKeyBRJPGBBGOKFYAJ-UHFFFAOYSA-N
XLogP3.43
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide (CID 147137112) is 1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide is Cc1cccc(S(=O)(=O)CCc2cc(=O)c(OCc3ccccc3)c(C(=O)NC(C)C)n2C)c1.
What is the InChIKey of 1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is BRJPGBBGOKFYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-18(2)27-26(30)24-25(33-17-20-10-6-5-7-11-20)23(29)16-21(28(24)4)13-14-34(31,32)22-12-8-9-19(3)15-22/h5-12,15-16,18H,13-14,17H2,1-4H3,(H,27,30).
What are the key properties of 1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide?
1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 482.60 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 147137112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).