1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea

C18H22N4O4S — CID 71655702

IUPAC1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea
SMILESCc1ncccc1CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H22N4O4S/c1-14-15(3-2-8-19-14)13-20-18(23)21-16-4-6-17(7-5-16)27(24,25)22-9-11-26-12-10-22/h2-8H,9-13H2,1H3,(H2,20,21,23)
InChIKeyLGPJTHLZYRDJLT-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.73
Rot. Bonds5

About 1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea

1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea (PubChem CID 71655702) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea
PubChem CID71655702
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea
SMILESCc1ncccc1CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H22N4O4S/c1-14-15(3-2-8-19-14)13-20-18(23)21-16-4-6-17(7-5-16)27(24,25)22-9-11-26-12-10-22/h2-8H,9-13H2,1H3,(H2,20,21,23)
InChIKeyLGPJTHLZYRDJLT-UHFFFAOYSA-N
XLogP1.73
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55570525
2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 4827304
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
1-[(2-methyl-3-pyridinyl)methyl]-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]urea
CID 132972772
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 37486420
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
1-(pyridin-3-ylmethyl)-3-(4-thiomorpholin-4-ylsulfonylphenyl)urea
CID 66610991
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea?
The IUPAC name of 1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea (CID 71655702) is 1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea?
The canonical SMILES for 1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea is Cc1ncccc1CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea?
The InChIKey is LGPJTHLZYRDJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-14-15(3-2-8-19-14)13-20-18(23)21-16-4-6-17(7-5-16)27(24,25)22-9-11-26-12-10-22/h2-8H,9-13H2,1H3,(H2,20,21,23).
What are the key properties of 1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea?
1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea has a molecular weight of 390.47 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea is sourced from PubChem (CID 71655702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).