N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide

C20H20F3N3O4S — CID 34508335

IUPACN-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O4S/c21-20(22,23)15-5-1-13(2-6-15)18(27)24-11-12-25-19(28)14-3-9-17(10-4-14)31(29,30)26-16-7-8-16/h1-6,9-10,16,26H,7-8,11-12H2,(H,24,27)(H,25,28)
InChIKeyQLPVICKEKZSCEN-UHFFFAOYSA-N
MW455.46 g/mol
LogP2.31
Rot. Bonds8

About N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 34508335) has the molecular formula C20H20F3N3O4S and a molecular weight of 455.46 g/mol. Its IUPAC name is N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID34508335
Molecular FormulaC20H20F3N3O4S
Molecular Weight455.46 g/mol
Exact Mass455.11
IUPAC NameN-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O4S/c21-20(22,23)15-5-1-13(2-6-15)18(27)24-11-12-25-19(28)14-3-9-17(10-4-14)31(29,30)26-16-7-8-16/h1-6,9-10,16,26H,7-8,11-12H2,(H,24,27)(H,25,28)
InChIKeyQLPVICKEKZSCEN-UHFFFAOYSA-N
XLogP2.31
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26701623
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291888
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 27887946
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 17482943
4-(cyclopropylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119447342
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78808928
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380
4-(cyclohexylsulfamoyl)-N-pentylbenzamide
CID 109059553
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide (CID 34508335) is N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is QLPVICKEKZSCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4S/c21-20(22,23)15-5-1-13(2-6-15)18(27)24-11-12-25-19(28)14-3-9-17(10-4-14)31(29,30)26-16-7-8-16/h1-6,9-10,16,26H,7-8,11-12H2,(H,24,27)(H,25,28).
What are the key properties of N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 455.46 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 34508335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).