3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea

C32H39ClN4O4S — CID 3008347

IUPAC3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCCN1CCC(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1ccccc1
InChIInChI=1S/C32H39ClN4O4S/c33-28-9-11-29(12-10-28)34-32(38)37(30-5-2-1-3-6-30)18-4-17-35-19-15-27(16-20-35)25-26-7-13-31(14-8-26)42(39,40)36-21-23-41-24-22-36/h1-3,5-14,27H,4,15-25H2,(H,34,38)
InChIKeyOPDQRRYTMMSLES-UHFFFAOYSA-N
MW611.21 g/mol
LogP5.74
Rot. Bonds10

About 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea

3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea (PubChem CID 3008347) has the molecular formula C32H39ClN4O4S and a molecular weight of 611.21 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea
PubChem CID3008347
Molecular FormulaC32H39ClN4O4S
Molecular Weight611.21 g/mol
Exact Mass610.24
IUPAC Name3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCCN1CCC(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1ccccc1
InChIInChI=1S/C32H39ClN4O4S/c33-28-9-11-29(12-10-28)34-32(38)37(30-5-2-1-3-6-30)18-4-17-35-19-15-27(16-20-35)25-26-7-13-31(14-8-26)42(39,40)36-21-23-41-24-22-36/h1-3,5-14,27H,4,15-25H2,(H,34,38)
InChIKeyOPDQRRYTMMSLES-UHFFFAOYSA-N
XLogP5.74
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.21
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea with MolForge

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Related Compounds

3-(4-Chlorophenyl)-1-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]-1-phenyl-urea
CID 3008346
1-[2-[Bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-3-(4-chlorophenyl)urea
CID 44569422
N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxamide;N-[(4-propan-2-ylphenyl)methyl]formamide
CID 143561513
1-[4-[[1-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]piperidin-4-yl]methyl]phenyl]sulfonylpiperidine-4-carboxylic acid
CID 9917613
3-(4-Chlorophenyl)-1-[3-[4-[[4-(2-hydroxyethylsulfamoyl)phenyl]methyl]piperidin-1-yl]propyl]-1-phenylurea
CID 10371093
3-chloro-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline;dihydrochloride
CID 18539240
3-chloro-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline
CID 18539241
N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 18539253
3-(4-Chlorophenyl)-1-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea;hydrochloride
CID 22676691
3-(4-Chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea;hydrochloride
CID 22676718
N-(4-chloro-2-methylphenyl)-4-phenyl-4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]piperidine-1-carboxamide
CID 57514751
N-(4-chlorophenyl)-4-[[(3R)-1-[3-(4-methylsulfonylphenyl)propyl]piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 57656787

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea (CID 3008347) is 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea is O=C(Nc1ccc(Cl)cc1)N(CCCN1CCC(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea?
The InChIKey is OPDQRRYTMMSLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClN4O4S/c33-28-9-11-29(12-10-28)34-32(38)37(30-5-2-1-3-6-30)18-4-17-35-19-15-27(16-20-35)25-26-7-13-31(14-8-26)42(39,40)36-21-23-41-24-22-36/h1-3,5-14,27H,4,15-25H2,(H,34,38).
What are the key properties of 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea?
3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea has a molecular weight of 611.21 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea is sourced from PubChem (CID 3008347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).