N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C17H19N3O4S2 — CID 18167940

IUPACN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc[nH]c1=S
InChIInChI=1S/C17H19N3O4S2/c21-16(14-5-3-7-18-17(14)25)19-12-13-4-1-2-6-15(13)26(22,23)20-8-10-24-11-9-20/h1-7H,8-12H2,(H,18,25)(H,19,21)
InChIKeyWYBRHPGQSWNCKO-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.70
Rot. Bonds5

About N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 18167940) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID18167940
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc[nH]c1=S
InChIInChI=1S/C17H19N3O4S2/c21-16(14-5-3-7-18-17(14)25)19-12-13-4-1-2-6-15(13)26(22,23)20-8-10-24-11-9-20/h1-7H,8-12H2,(H,18,25)(H,19,21)
InChIKeyWYBRHPGQSWNCKO-UHFFFAOYSA-N
XLogP1.70
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30955346
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625602
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]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30797106
6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800
2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 33308662
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide
CID 24584061
3-(cyclopropylsulfamoyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 24680805
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 42954505

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 18167940) is N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc[nH]c1=S.
What is the InChIKey of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is WYBRHPGQSWNCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c21-16(14-5-3-7-18-17(14)25)19-12-13-4-1-2-6-15(13)26(22,23)20-8-10-24-11-9-20/h1-7H,8-12H2,(H,18,25)(H,19,21).
What are the key properties of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18167940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).