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

C19H20N4O4S — CID 55570525

IUPAC1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
SMILESN#Cc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H20N4O4S/c20-13-15-1-5-17(6-2-15)22-19(24)21-14-16-3-7-18(8-4-16)28(25,26)23-9-11-27-12-10-23/h1-8H,9-12,14H2,(H2,21,22,24)
InChIKeyFDDXLYRUQVEBSB-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.90
Rot. Bonds5

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

1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea (PubChem CID 55570525) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
PubChem CID55570525
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
SMILESN#Cc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H20N4O4S/c20-13-15-1-5-17(6-2-15)22-19(24)21-14-16-3-7-18(8-4-16)28(25,26)23-9-11-27-12-10-23/h1-8H,9-12,14H2,(H2,21,22,24)
InChIKeyFDDXLYRUQVEBSB-UHFFFAOYSA-N
XLogP1.90
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanophenyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 38275681
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
1-(4-chlorophenyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]urea
CID 108782077
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea
CID 71655702
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30127277
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
1-[(4-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271569
1-[(E)-(4-cyanophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 6902914
N-(4-morpholin-4-ylsulfonylphenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066698

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea (CID 55570525) is 1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea is N#Cc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
The InChIKey is FDDXLYRUQVEBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c20-13-15-1-5-17(6-2-15)22-19(24)21-14-16-3-7-18(8-4-16)28(25,26)23-9-11-27-12-10-23/h1-8H,9-12,14H2,(H2,21,22,24).
What are the key properties of 1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea has a molecular weight of 400.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea is sourced from PubChem (CID 55570525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).