N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide

C16H18FNOS — CID 46082636

IUPACN-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H18FNOS/c1-3-4-11-18(2)16(19)15-10-9-14(20-15)12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3
InChIKeyKTHRLIRWXUJYNW-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.43
Rot. Bonds5

About N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide

N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide (PubChem CID 46082636) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
PubChem CID46082636
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC NameN-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H18FNOS/c1-3-4-11-18(2)16(19)15-10-9-14(20-15)12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3
InChIKeyKTHRLIRWXUJYNW-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
1-(5-{[Benzyl(methyl)amino]methyl}thiophen-2-yl)-2,2,2-trifluoroethan-1-one
CID 25023811
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
[5-(Tert-butyl)-2-thienyl](1-pyrrolidinyl)methanone
CID 2741532
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide (CID 46082636) is N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide is CCCCN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is KTHRLIRWXUJYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-3-4-11-18(2)16(19)15-10-9-14(20-15)12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3.
What are the key properties of N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 46082636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).