2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide

C22H23N3O4S2 — CID 33308674

IUPAC2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H23N3O4S2/c1-16-18(8-9-19(24-16)20-6-4-14-30-20)22(26)23-15-17-5-2-3-7-21(17)31(27,28)25-10-12-29-13-11-25/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyYGGDEOOSWSWBJB-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.07
Rot. Bonds6

About 2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide

2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 33308674) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID33308674
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H23N3O4S2/c1-16-18(8-9-19(24-16)20-6-4-14-30-20)22(26)23-15-17-5-2-3-7-21(17)31(27,28)25-10-12-29-13-11-25/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyYGGDEOOSWSWBJB-UHFFFAOYSA-N
XLogP3.07
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428057
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582298
6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24668619
2-(difluoromethoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30955346
2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24680820
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167940
N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 112807335
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622785
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 17442191
N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625521
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide (CID 33308674) is 2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide is Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is YGGDEOOSWSWBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-16-18(8-9-19(24-16)20-6-4-14-30-20)22(26)23-15-17-5-2-3-7-21(17)31(27,28)25-10-12-29-13-11-25/h2-9,14H,10-13,15H2,1H3,(H,23,26).
What are the key properties of 2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide?
2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 33308674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).