1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea

C13H21FN4O3S — CID 154749821

IUPAC1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea
SMILESCN(CCNC(=O)NCCS(N)(=O)=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN4O3S/c1-18(10-11-2-4-12(14)5-3-11)8-6-16-13(19)17-7-9-22(15,20)21/h2-5H,6-10H2,1H3,(H2,15,20,21)(H2,16,17,19)
InChIKeyJLSLSCZFDSIPMU-UHFFFAOYSA-N
MW332.40 g/mol
LogP-0.15
Rot. Bonds8

About 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea

1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea (PubChem CID 154749821) has the molecular formula C13H21FN4O3S and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea
PubChem CID154749821
Molecular FormulaC13H21FN4O3S
Molecular Weight332.40 g/mol
Exact Mass332.13
IUPAC Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea
SMILESCN(CCNC(=O)NCCS(N)(=O)=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN4O3S/c1-18(10-11-2-4-12(14)5-3-11)8-6-16-13(19)17-7-9-22(15,20)21/h2-5H,6-10H2,1H3,(H2,15,20,21)(H2,16,17,19)
InChIKeyJLSLSCZFDSIPMU-UHFFFAOYSA-N
XLogP-0.15
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
CID 119896383
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111751267
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111751057
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
CID 119896354
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066937
3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 56782564
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide
CID 111752415
1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea
CID 11674321
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(3-methylbutyl)guanidine
CID 111752434
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide
CID 122145910
methyl N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066983

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea (CID 154749821) is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea is CN(CCNC(=O)NCCS(N)(=O)=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea?
The InChIKey is JLSLSCZFDSIPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O3S/c1-18(10-11-2-4-12(14)5-3-11)8-6-16-13(19)17-7-9-22(15,20)21/h2-5H,6-10H2,1H3,(H2,15,20,21)(H2,16,17,19).
What are the key properties of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea?
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea has a molecular weight of 332.40 g/mol, XLogP of -0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea is sourced from PubChem (CID 154749821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).