1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea

C18H25N3O3S2 — CID 41249871

IUPAC1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-3-21(4-2)26(23,24)17-9-7-15(8-10-17)14-20-18(22)19-12-11-16-6-5-13-25-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,19,20,22)
InChIKeyLKSWMUGECUEFOO-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.82
Rot. Bonds9

About 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea

1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 41249871) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID41249871
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-3-21(4-2)26(23,24)17-9-7-15(8-10-17)14-20-18(22)19-12-11-16-6-5-13-25-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,19,20,22)
InChIKeyLKSWMUGECUEFOO-UHFFFAOYSA-N
XLogP2.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421340
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
5-(diethylsulfamoyl)-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 19257817
N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
CID 167806334
2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 38268580
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349710
4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801560
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea (CID 41249871) is 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCCc2cccs2)cc1.
What is the InChIKey of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is LKSWMUGECUEFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-3-21(4-2)26(23,24)17-9-7-15(8-10-17)14-20-18(22)19-12-11-16-6-5-13-25-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea?
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 395.55 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 41249871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).