3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide

C22H28N4O5S — CID 55814556

IUPAC3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H28N4O5S/c1-14-12-26(13-15(2)31-14)21-9-7-18(11-23-21)24-22(27)16-4-8-19(30-3)20(10-16)32(28,29)25-17-5-6-17/h4,7-11,14-15,17,25H,5-6,12-13H2,1-3H3,(H,24,27)
InChIKeyFPMJTDMCGGLKDF-UHFFFAOYSA-N
MW460.56 g/mol
LogP2.40
Rot. Bonds7

About 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide

3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide (PubChem CID 55814556) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide
PubChem CID55814556
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Name3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H28N4O5S/c1-14-12-26(13-15(2)31-14)21-9-7-18(11-23-21)24-22(27)16-4-8-19(30-3)20(10-16)32(28,29)25-17-5-6-17/h4,7-11,14-15,17,25H,5-6,12-13H2,1-3H3,(H,24,27)
InChIKeyFPMJTDMCGGLKDF-UHFFFAOYSA-N
XLogP2.40
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide with MolForge

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Related Compounds

N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(methylsulfamoyl)benzamide
CID 166181004
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 55377344
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 24610746
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496296
N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 55947712
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24590411
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55814619

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide (CID 55814556) is 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide?
The InChIKey is FPMJTDMCGGLKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-14-12-26(13-15(2)31-14)21-9-7-18(11-23-21)24-22(27)16-4-8-19(30-3)20(10-16)32(28,29)25-17-5-6-17/h4,7-11,14-15,17,25H,5-6,12-13H2,1-3H3,(H,24,27).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide?
3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide has a molecular weight of 460.56 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 55814556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).