1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea

C20H32N4O3S — CID 112832261

IUPAC1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C20H32N4O3S/c1-3-24(4-2)28(26,27)19-9-5-16(6-10-19)13-21-20(25)22-14-17-11-12-23(15-17)18-7-8-18/h5-6,9-10,17-18H,3-4,7-8,11-15H2,1-2H3,(H2,21,22,25)
InChIKeyIWMXTLKQPJYYSS-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.00
Rot. Bonds9

About 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea

1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea (PubChem CID 112832261) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
PubChem CID112832261
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C20H32N4O3S/c1-3-24(4-2)28(26,27)19-9-5-16(6-10-19)13-21-20(25)22-14-17-11-12-23(15-17)18-7-8-18/h5-6,9-10,17-18H,3-4,7-8,11-15H2,1-2H3,(H2,21,22,25)
InChIKeyIWMXTLKQPJYYSS-UHFFFAOYSA-N
XLogP2.00
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558337
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 55473112
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
CID 97081608
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421340
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 55472850
1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea
CID 95203939
1-[(2-methylphenyl)methyl]-3-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 95222597
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
The IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea (CID 112832261) is 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCC2CCN(C3CC3)C2)cc1.
What is the InChIKey of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
The InChIKey is IWMXTLKQPJYYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-3-24(4-2)28(26,27)19-9-5-16(6-10-19)13-21-20(25)22-14-17-11-12-23(15-17)18-7-8-18/h5-6,9-10,17-18H,3-4,7-8,11-15H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea has a molecular weight of 408.57 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea is sourced from PubChem (CID 112832261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).