2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide

C19H23ClN4O4S — CID 16588008

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(N2CCOCC2)nc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O4S/c1-23(29(26,27)17-5-3-16(20)4-6-17)14-19(25)22-13-15-2-7-18(21-12-15)24-8-10-28-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,22,25)
InChIKeyGBKUXYGSSXXOQA-UHFFFAOYSA-N
MW438.94 g/mol
LogP1.51
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide (PubChem CID 16588008) has the molecular formula C19H23ClN4O4S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
PubChem CID16588008
Molecular FormulaC19H23ClN4O4S
Molecular Weight438.94 g/mol
Exact Mass438.11
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(N2CCOCC2)nc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O4S/c1-23(29(26,27)17-5-3-16(20)4-6-17)14-19(25)22-13-15-2-7-18(21-12-15)24-8-10-28-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,22,25)
InChIKeyGBKUXYGSSXXOQA-UHFFFAOYSA-N
XLogP1.51
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 94538736
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007
5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
1-[(4-chlorophenyl)methyl]-1,2-dimethyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 119131545
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 55614997
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934
(1R)-2,2-dichloro-1-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 42473931
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100
2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 18145207

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide (CID 16588008) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide is CN(CC(=O)NCc1ccc(N2CCOCC2)nc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is GBKUXYGSSXXOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4S/c1-23(29(26,27)17-5-3-16(20)4-6-17)14-19(25)22-13-15-2-7-18(21-12-15)24-8-10-28-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,22,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 438.94 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 16588008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).