1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C16H20N4O4S — CID 17405267

IUPAC1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1
InChIInChI=1S/C16H20N4O4S/c1-12-4-3-5-15(17-12)18-16(21)14-10-13(11-19(14)2)25(22,23)20-6-8-24-9-7-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21)
InChIKeyLCWQXLQSBADPGC-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.00
Rot. Bonds4

About 1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 17405267) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID17405267
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1
InChIInChI=1S/C16H20N4O4S/c1-12-4-3-5-15(17-12)18-16(21)14-10-13(11-19(14)2)25(22,23)20-6-8-24-9-7-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21)
InChIKeyLCWQXLQSBADPGC-UHFFFAOYSA-N
XLogP1.00
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17407087
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519046
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519090
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22576668
N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 24532844
(3-iodophenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate
CID 16572621
N-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 154836055

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 17405267) is 1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1.
What is the InChIKey of 1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is LCWQXLQSBADPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-12-4-3-5-15(17-12)18-16(21)14-10-13(11-19(14)2)25(22,23)20-6-8-24-9-7-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21).
What are the key properties of 1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 17405267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).