N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C23H32N4O4S — CID 55713816

IUPACN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCOC(C)C3)nc2)c(C)c1
InChIInChI=1S/C23H32N4O4S/c1-16-11-17(2)23(18(3)12-16)32(29,30)26-8-7-22(28)25-14-20-5-6-21(24-13-20)27-9-10-31-19(4)15-27/h5-6,11-13,19,26H,7-10,14-15H2,1-4H3,(H,25,28)
InChIKeyMEMNLWQVVQYACZ-UHFFFAOYSA-N
MW460.60 g/mol
LogP2.22
Rot. Bonds8

About N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 55713816) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID55713816
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCOC(C)C3)nc2)c(C)c1
InChIInChI=1S/C23H32N4O4S/c1-16-11-17(2)23(18(3)12-16)32(29,30)26-8-7-22(28)25-14-20-5-6-21(24-13-20)27-9-10-31-19(4)15-27/h5-6,11-13,19,26H,7-10,14-15H2,1-4H3,(H,25,28)
InChIKeyMEMNLWQVVQYACZ-UHFFFAOYSA-N
XLogP2.22
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide with MolForge

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Related Compounds

N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
CID 47085928
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111846633
(2S,4S)-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633132
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 55714060
1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 55791220
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
2,2,6-trimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 48712827
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 55713816) is N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCOC(C)C3)nc2)c(C)c1.
What is the InChIKey of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is MEMNLWQVVQYACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-16-11-17(2)23(18(3)12-16)32(29,30)26-8-7-22(28)25-14-20-5-6-21(24-13-20)27-9-10-31-19(4)15-27/h5-6,11-13,19,26H,7-10,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 460.60 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55713816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).