N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C20H21FN2O3S — CID 55846765

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O3S/c21-16-5-3-15(4-6-16)20(11-12-20)19(24)22-13-14-1-9-18(10-2-14)27(25,26)23-17-7-8-17/h1-6,9-10,17,23H,7-8,11-13H2,(H,22,24)
InChIKeyORNLKMKRSJGZKD-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.61
Rot. Bonds7

About N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 55846765) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID55846765
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O3S/c21-16-5-3-15(4-6-16)20(11-12-20)19(24)22-13-14-1-9-18(10-2-14)27(25,26)23-17-7-8-17/h1-6,9-10,17,23H,7-8,11-13H2,(H,22,24)
InChIKeyORNLKMKRSJGZKD-UHFFFAOYSA-N
XLogP2.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55959373
1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 55972909
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-benzyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061872
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide
CID 51120364
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 30806810
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483
1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 20971628
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 55846765) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is ORNLKMKRSJGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c21-16-5-3-15(4-6-16)20(11-12-20)19(24)22-13-14-1-9-18(10-2-14)27(25,26)23-17-7-8-17/h1-6,9-10,17,23H,7-8,11-13H2,(H,22,24).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55846765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).