4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

C18H21N3O4S — CID 1454712

IUPAC4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nc1
InChIInChI=1S/C18H21N3O4S/c1-13-3-6-17(19-12-13)20-18(22)15-5-4-14(2)16(11-15)26(23,24)21-7-9-25-10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,22)
InChIKeyATQRTFFDIFLKCV-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.97
Rot. Bonds4

About 4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1454712) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1454712
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nc1
InChIInChI=1S/C18H21N3O4S/c1-13-3-6-17(19-12-13)20-18(22)15-5-4-14(2)16(11-15)26(23,24)21-7-9-25-10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,22)
InChIKeyATQRTFFDIFLKCV-UHFFFAOYSA-N
XLogP1.97
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
N-(isoquinolin-1-yl)-4-methyl-3-(piperidin-1-ylsulfonyl)benzamide
CID 44446802
N-(6-methylpyridin-2-yl)-4-(morpholinosulfonyl)benzamide
CID 1356345
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 2347598
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731
N-(5-chloropyridin-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 1039727
5-(tert-butylsulfamoyl)-2-methyl-N-(5-methylpyridin-2-yl)benzamide
CID 16354321
{4-[(dipropylamino)sulfonyl]phenyl}-N-(2-pyridyl)carboxamide
CID 17385730
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide
CID 86296892
N-(5-Chloro-pyridin-2-yl)-3-diethylsulfamoyl-benzamide
CID 652548
4-(1-piperidinylsulfonyl)-N-(2-pyridinyl)benzamide
CID 862032
3-[(diethylamino)sulfonyl]-4-methyl-N-2-pyridinylbenzamide
CID 871491

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1454712) is 4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nc1.
What is the InChIKey of 4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ATQRTFFDIFLKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-3-6-17(19-12-13)20-18(22)15-5-4-14(2)16(11-15)26(23,24)21-7-9-25-10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,22).
What are the key properties of 4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 375.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1454712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).