6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide

C22H23N3O5S2 — CID 59406438

IUPAC6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide
SMILESC[C@H](CO)NC(=O)c1cc(-c2cccs2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C22H23N3O5S2/c1-14(13-26)24-22(28)19-11-16(20-4-3-9-31-20)10-18(25-19)21(27)23-12-15-5-7-17(8-6-15)32(2,29)30/h3-11,14,26H,12-13H2,1-2H3,(H,23,27)(H,24,28)/t14-/m1/s1
InChIKeyCVCWPDTYXVPMDS-CQSZACIVSA-N
MW473.58 g/mol
LogP2.25
Rot. Bonds8

About 6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide

6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide (PubChem CID 59406438) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide
PubChem CID59406438
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC Name6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide
SMILESC[C@H](CO)NC(=O)c1cc(-c2cccs2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C22H23N3O5S2/c1-14(13-26)24-22(28)19-11-16(20-4-3-9-31-20)10-18(25-19)21(27)23-12-15-5-7-17(8-6-15)32(2,29)30/h3-11,14,26H,12-13H2,1-2H3,(H,23,27)(H,24,28)/t14-/m1/s1
InChIKeyCVCWPDTYXVPMDS-CQSZACIVSA-N
XLogP2.25
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide (CID 59406438) is 6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide is C[C@H](CO)NC(=O)c1cc(-c2cccs2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is CVCWPDTYXVPMDS-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-14(13-26)24-22(28)19-11-16(20-4-3-9-31-20)10-18(25-19)21(27)23-12-15-5-7-17(8-6-15)32(2,29)30/h3-11,14,26H,12-13H2,1-2H3,(H,23,27)(H,24,28)/t14-/m1/s1.
What are the key properties of 6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide?
6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 473.58 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 59406438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).