1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea

C20H29N3O3S2 — CID 24613018

IUPAC1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC(c2ccccc2)C(C)C)s1
InChIInChI=1S/C20H29N3O3S2/c1-5-23(6-2)28(25,26)18-13-12-17(27-18)14-21-20(24)22-19(15(3)4)16-10-8-7-9-11-16/h7-13,15,19H,5-6,14H2,1-4H3,(H2,21,22,24)
InChIKeyXCTJTQQQMIRILX-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.98
Rot. Bonds9

About 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea

1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea (PubChem CID 24613018) has the molecular formula C20H29N3O3S2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea.

Molecular Properties

Compound Name1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea
PubChem CID24613018
Molecular FormulaC20H29N3O3S2
Molecular Weight423.60 g/mol
Exact Mass423.17
IUPAC Name1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC(c2ccccc2)C(C)C)s1
InChIInChI=1S/C20H29N3O3S2/c1-5-23(6-2)28(25,26)18-13-12-17(27-18)14-21-20(24)22-19(15(3)4)16-10-8-7-9-11-16/h7-13,15,19H,5-6,14H2,1-4H3,(H2,21,22,24)
InChIKeyXCTJTQQQMIRILX-UHFFFAOYSA-N
XLogP3.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 24612971
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
CID 24612288
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(1S)-3-methyl-1-phenylbutyl]urea
CID 36520315
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
CID 18140594
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
CID 24598621
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 43048057
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 86952267
N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 2813898
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114598
2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45297292

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea?
The IUPAC name of 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea (CID 24613018) is 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea.
What is the SMILES notation for 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea?
The canonical SMILES for 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC(c2ccccc2)C(C)C)s1.
What is the InChIKey of 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea?
The InChIKey is XCTJTQQQMIRILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S2/c1-5-23(6-2)28(25,26)18-13-12-17(27-18)14-21-20(24)22-19(15(3)4)16-10-8-7-9-11-16/h7-13,15,19H,5-6,14H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea?
1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea has a molecular weight of 423.60 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea is sourced from PubChem (CID 24613018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).