4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C18H17ClF3N3O2S — CID 138993854

IUPAC4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1csc(C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1Cl
InChIInChI=1S/C18H17ClF3N3O2S/c1-11-10-28-15(14(11)19)16(26)24-5-7-25(8-6-24)17(27)23-13-4-2-3-12(9-13)18(20,21)22/h2-4,9-10H,5-8H2,1H3,(H,23,27)
InChIKeyZQDKMRZDNQDPJP-UHFFFAOYSA-N
MW431.87 g/mol
LogP4.72
Rot. Bonds2

About 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 138993854) has the molecular formula C18H17ClF3N3O2S and a molecular weight of 431.87 g/mol. Its IUPAC name is 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID138993854
Molecular FormulaC18H17ClF3N3O2S
Molecular Weight431.87 g/mol
Exact Mass431.07
IUPAC Name4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1csc(C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1Cl
InChIInChI=1S/C18H17ClF3N3O2S/c1-11-10-28-15(14(11)19)16(26)24-5-7-25(8-6-24)17(27)23-13-4-2-3-12(9-13)18(20,21)22/h2-4,9-10H,5-8H2,1H3,(H,23,27)
InChIKeyZQDKMRZDNQDPJP-UHFFFAOYSA-N
XLogP4.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.87
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-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

ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
4-[2-(1-benzothiophen-3-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46292824
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 19293560
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 166218060

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 138993854) is 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is Cc1csc(C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1Cl.
What is the InChIKey of 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ZQDKMRZDNQDPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O2S/c1-11-10-28-15(14(11)19)16(26)24-5-7-25(8-6-24)17(27)23-13-4-2-3-12(9-13)18(20,21)22/h2-4,9-10H,5-8H2,1H3,(H,23,27).
What are the key properties of 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 431.87 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 138993854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).