1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea

C18H25N3O3S2 — CID 33421340

IUPAC1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2sccc2C)cc1
InChIInChI=1S/C18H25N3O3S2/c1-4-21(5-2)26(23,24)16-8-6-15(7-9-16)12-19-18(22)20-13-17-14(3)10-11-25-17/h6-11H,4-5,12-13H2,1-3H3,(H2,19,20,22)
InChIKeyZXNRHROUDPRDFB-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.09
Rot. Bonds8

About 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea

1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 33421340) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID33421340
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2sccc2C)cc1
InChIInChI=1S/C18H25N3O3S2/c1-4-21(5-2)26(23,24)16-8-6-15(7-9-16)12-19-18(22)20-13-17-14(3)10-11-25-17/h6-11H,4-5,12-13H2,1-3H3,(H2,19,20,22)
InChIKeyZXNRHROUDPRDFB-UHFFFAOYSA-N
XLogP3.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 41249871
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
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33420120
2-[(diethylsulfamoylamino)methyl]-3-methylthiophene
CID 35610330
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea (CID 33421340) is 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2sccc2C)cc1.
What is the InChIKey of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is ZXNRHROUDPRDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-4-21(5-2)26(23,24)16-8-6-15(7-9-16)12-19-18(22)20-13-17-14(3)10-11-25-17/h6-11H,4-5,12-13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 395.55 g/mol, XLogP of 3.09, 8 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-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 33421340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).