1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea

C22H25ClN4O5S — CID 108876509

IUPAC1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H25ClN4O5S/c23-19-7-6-18(33(30,31)27-8-10-32-11-9-27)13-20(19)25-22(29)24-17-12-21(28)26(15-17)14-16-4-2-1-3-5-16/h1-7,13,17H,8-12,14-15H2,(H2,24,25,29)
InChIKeyVWAPYJVFMYXVAJ-UHFFFAOYSA-N
MW492.99 g/mol
LogP2.28
Rot. Bonds6

About 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea

1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea (PubChem CID 108876509) has the molecular formula C22H25ClN4O5S and a molecular weight of 492.99 g/mol. Its IUPAC name is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea
PubChem CID108876509
Molecular FormulaC22H25ClN4O5S
Molecular Weight492.99 g/mol
Exact Mass492.12
IUPAC Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H25ClN4O5S/c23-19-7-6-18(33(30,31)27-8-10-32-11-9-27)13-20(19)25-22(29)24-17-12-21(28)26(15-17)14-16-4-2-1-3-5-16/h1-7,13,17H,8-12,14-15H2,(H2,24,25,29)
InChIKeyVWAPYJVFMYXVAJ-UHFFFAOYSA-N
XLogP2.28
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)urea
CID 108888055
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636
N-(1-benzyl-5-oxopyrrolidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108876723
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-chloro-2-methoxy-5-methylphenyl)urea
CID 108876656
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 25361483
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889454
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891884
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea?
The IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea (CID 108876509) is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea?
The canonical SMILES for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea?
The InChIKey is VWAPYJVFMYXVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O5S/c23-19-7-6-18(33(30,31)27-8-10-32-11-9-27)13-20(19)25-22(29)24-17-12-21(28)26(15-17)14-16-4-2-1-3-5-16/h1-7,13,17H,8-12,14-15H2,(H2,24,25,29).
What are the key properties of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea?
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea has a molecular weight of 492.99 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea is sourced from PubChem (CID 108876509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).