N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide

C18H20ClN3O5S — CID 53170666

IUPACN-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O5S/c19-15-3-1-14(2-4-15)11-20-17(23)13-21-12-16(5-6-18(21)24)28(25,26)22-7-9-27-10-8-22/h1-6,12H,7-11,13H2,(H,20,23)
InChIKeyFGNJUNFYXCLGJK-UHFFFAOYSA-N
MW425.89 g/mol
LogP0.84
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide

N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 53170666) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
PubChem CID53170666
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O5S/c19-15-3-1-14(2-4-15)11-20-17(23)13-21-12-16(5-6-18(21)24)28(25,26)22-7-9-27-10-8-22/h1-6,12H,7-11,13H2,(H,20,23)
InChIKeyFGNJUNFYXCLGJK-UHFFFAOYSA-N
XLogP0.84
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992671
N-(4-chlorophenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992765
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 30749963
1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170592
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
CID 55345467
4-chloro-N-[(2S)-3-methyl-1-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-1-oxobutan-2-yl]benzamide
CID 31336859
5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55381019
1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 24548447
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide (CID 53170666) is N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide is O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is FGNJUNFYXCLGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c19-15-3-1-14(2-4-15)11-20-17(23)13-21-12-16(5-6-18(21)24)28(25,26)22-7-9-27-10-8-22/h1-6,12H,7-11,13H2,(H,20,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 425.89 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 53170666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).