1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea

C20H25N5O3S — CID 41482598

IUPAC1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nn2cnc3ccccc32)cc1
InChIInChI=1S/C20H25N5O3S/c1-4-24(5-2)29(27,28)17-12-10-16(11-13-17)15(3)22-20(26)23-25-14-21-18-8-6-7-9-19(18)25/h6-15H,4-5H2,1-3H3,(H2,22,23,26)/t15-/m0/s1
InChIKeyYLUUZIUHFJMMRP-HNNXBMFYSA-N
MW415.52 g/mol
LogP3.08
Rot. Bonds7

About 1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea

1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea (PubChem CID 41482598) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
PubChem CID41482598
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nn2cnc3ccccc32)cc1
InChIInChI=1S/C20H25N5O3S/c1-4-24(5-2)29(27,28)17-12-10-16(11-13-17)15(3)22-20(26)23-25-14-21-18-8-6-7-9-19(18)25/h6-15H,4-5H2,1-3H3,(H2,22,23,26)/t15-/m0/s1
InChIKeyYLUUZIUHFJMMRP-HNNXBMFYSA-N
XLogP3.08
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41256051
1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 41482613
1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55473706
1-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 52535105
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 52525151
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
1-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 26249383
1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea
CID 71990747
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
The IUPAC name of 1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea (CID 41482598) is 1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea is CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nn2cnc3ccccc32)cc1.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
The InChIKey is YLUUZIUHFJMMRP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-4-24(5-2)29(27,28)17-12-10-16(11-13-17)15(3)22-20(26)23-25-14-21-18-8-6-7-9-19(18)25/h6-15H,4-5H2,1-3H3,(H2,22,23,26)/t15-/m0/s1.
What are the key properties of 1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea has a molecular weight of 415.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea is sourced from PubChem (CID 41482598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).