1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea

C21H23N5O3S — CID 166358541

IUPAC1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea
SMILESCc1cnc(C2(NC(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4)c3)CCC2)[nH]1
InChIInChI=1S/C21H23N5O3S/c1-15-14-22-19(23-15)21(11-6-12-21)25-20(27)24-17-9-5-10-18(13-17)30(28,29)26-16-7-3-2-4-8-16/h2-5,7-10,13-14,26H,6,11-12H2,1H3,(H,22,23)(H2,24,25,27)
InChIKeyCZACXBSCDNWLSH-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.72
Rot. Bonds6

About 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea

1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea (PubChem CID 166358541) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea
PubChem CID166358541
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea
SMILESCc1cnc(C2(NC(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4)c3)CCC2)[nH]1
InChIInChI=1S/C21H23N5O3S/c1-15-14-22-19(23-15)21(11-6-12-21)25-20(27)24-17-9-5-10-18(13-17)30(28,29)26-16-7-3-2-4-8-16/h2-5,7-10,13-14,26H,6,11-12H2,1H3,(H,22,23)(H2,24,25,27)
InChIKeyCZACXBSCDNWLSH-UHFFFAOYSA-N
XLogP3.72
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 167790037
1-amino-N-[3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119283953
1-methyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075994
N-[3-[(1-phenylcyclopropyl)sulfamoyl]phenyl]acetamide
CID 110446289
2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 60828087
1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075987
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 70667544
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[3-(phenylsulfamoyl)phenyl]urea
CID 97341772
1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenylurea
CID 9452295
N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
CID 113035173

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea?
The IUPAC name of 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea (CID 166358541) is 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea is Cc1cnc(C2(NC(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4)c3)CCC2)[nH]1.
What is the InChIKey of 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea?
The InChIKey is CZACXBSCDNWLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-15-14-22-19(23-15)21(11-6-12-21)25-20(27)24-17-9-5-10-18(13-17)30(28,29)26-16-7-3-2-4-8-16/h2-5,7-10,13-14,26H,6,11-12H2,1H3,(H,22,23)(H2,24,25,27).
What are the key properties of 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea?
1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea has a molecular weight of 425.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea is sourced from PubChem (CID 166358541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).