N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide

C20H26N4O4S — CID 30354753

IUPACN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H26N4O4S/c1-15(2)23-29(26,27)18-6-4-3-5-17(18)20(25)22-14-16-7-8-19(21-13-16)24-9-11-28-12-10-24/h3-8,13,15,23H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyRDQXHEDLHUNNEK-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.53
Rot. Bonds7

About N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide (PubChem CID 30354753) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide
PubChem CID30354753
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H26N4O4S/c1-15(2)23-29(26,27)18-6-4-3-5-17(18)20(25)22-14-16-7-8-19(21-13-16)24-9-11-28-12-10-24/h3-8,13,15,23H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyRDQXHEDLHUNNEK-UHFFFAOYSA-N
XLogP1.53
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide
CID 166208920
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
6-morpholin-4-yl-N-propan-2-ylpyridine-3-sulfonamide
CID 58525227
4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 16602299
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 47043377
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871

Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide (CID 30354753) is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is RDQXHEDLHUNNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-15(2)23-29(26,27)18-6-4-3-5-17(18)20(25)22-14-16-7-8-19(21-13-16)24-9-11-28-12-10-24/h3-8,13,15,23H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide?
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 30354753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).