4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C17H15ClF3NO2S — CID 55347528

IUPAC4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H15ClF3NO2S/c1-22(10-11-2-4-12(5-3-11)17(19,20)21)16(24)9-6-13(23)14-7-8-15(18)25-14/h2-5,7-8H,6,9-10H2,1H3
InChIKeyGRJIYCPIUNJGCU-UHFFFAOYSA-N
MW389.83 g/mol
LogP5.04
Rot. Bonds6

About 4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 55347528) has the molecular formula C17H15ClF3NO2S and a molecular weight of 389.83 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID55347528
Molecular FormulaC17H15ClF3NO2S
Molecular Weight389.83 g/mol
Exact Mass389.05
IUPAC Name4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H15ClF3NO2S/c1-22(10-11-2-4-12(5-3-11)17(19,20)21)16(24)9-6-13(23)14-7-8-15(18)25-14/h2-5,7-8H,6,9-10H2,1H3
InChIKeyGRJIYCPIUNJGCU-UHFFFAOYSA-N
XLogP5.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.83
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56511815
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide
CID 112791738
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
N-[(4-cyanophenyl)methyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39859555
N-(1H-benzimidazol-2-ylmethyl)-4-(5-chlorothiophen-2-yl)-N-methyl-4-oxobutanamide
CID 36518894
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 134017189
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
N-[(3,4-difluorophenyl)methyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55631751

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 55347528) is 4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is GRJIYCPIUNJGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2S/c1-22(10-11-2-4-12(5-3-11)17(19,20)21)16(24)9-6-13(23)14-7-8-15(18)25-14/h2-5,7-8H,6,9-10H2,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 389.83 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 55347528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).