1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea

C18H19N3O5S — CID 110363597

IUPAC1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1
InChIInChI=1S/C18H19N3O5S/c1-13-2-8-16(9-3-13)27(24,25)20-18(23)19-14-4-6-15(7-5-14)21-10-11-26-12-17(21)22/h2-9H,10-12H2,1H3,(H2,19,20,23)
InChIKeyIRBIXCNQJNCBHK-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea

1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea (PubChem CID 110363597) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
PubChem CID110363597
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1
InChIInChI=1S/C18H19N3O5S/c1-13-2-8-16(9-3-13)27(24,25)20-18(23)19-14-4-6-15(7-5-14)21-10-11-26-12-17(21)22/h2-9H,10-12H2,1H3,(H2,19,20,23)
InChIKeyIRBIXCNQJNCBHK-UHFFFAOYSA-N
XLogP1.87
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
3-(4-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110617653
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372468
3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
CID 110363640
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide
CID 110372460

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea (CID 110363597) is 1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
The InChIKey is IRBIXCNQJNCBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-13-2-8-16(9-3-13)27(24,25)20-18(23)19-14-4-6-15(7-5-14)21-10-11-26-12-17(21)22/h2-9H,10-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea has a molecular weight of 389.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea is sourced from PubChem (CID 110363597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).