N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide

C18H19ClF3N3O2S — CID 55720301

IUPACN-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(CCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)CC(F)(F)F
InChIInChI=1S/C18H19ClF3N3O2S/c1-25(11-18(20,21)22)8-3-7-23-16(26)12-5-6-13(19)14(10-12)24-17(27)15-4-2-9-28-15/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,23,26)(H,24,27)
InChIKeyPIHHYZLJZOATOT-UHFFFAOYSA-N
MW433.88 g/mol
LogP4.27
Rot. Bonds8

About N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55720301) has the molecular formula C18H19ClF3N3O2S and a molecular weight of 433.88 g/mol. Its IUPAC name is N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55720301
Molecular FormulaC18H19ClF3N3O2S
Molecular Weight433.88 g/mol
Exact Mass433.08
IUPAC NameN-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(CCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)CC(F)(F)F
InChIInChI=1S/C18H19ClF3N3O2S/c1-25(11-18(20,21)22)8-3-7-23-16(26)12-5-6-13(19)14(10-12)24-17(27)15-4-2-9-28-15/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,23,26)(H,24,27)
InChIKeyPIHHYZLJZOATOT-UHFFFAOYSA-N
XLogP4.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 56558502
N-[2-chloro-5-(4-imidazol-1-ylbutylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55977431
N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 55869328
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120827309
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27859245
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119447731
N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43044364

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55720301) is N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide is CN(CCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)CC(F)(F)F.
What is the InChIKey of N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PIHHYZLJZOATOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O2S/c1-25(11-18(20,21)22)8-3-7-23-16(26)12-5-6-13(19)14(10-12)24-17(27)15-4-2-9-28-15/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 433.88 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55720301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).