N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide

C16H17F2NOS — CID 46082631

IUPACN-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C16H17F2NOS/c1-3-4-9-19(2)16(20)15-8-7-14(21-15)11-5-6-12(17)13(18)10-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyIUMVOXUPOSJMHG-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.57
Rot. Bonds5

About N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide

N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide (PubChem CID 46082631) has the molecular formula C16H17F2NOS and a molecular weight of 309.38 g/mol. Its IUPAC name is N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide
PubChem CID46082631
Molecular FormulaC16H17F2NOS
Molecular Weight309.38 g/mol
Exact Mass309.10
IUPAC NameN-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C16H17F2NOS/c1-3-4-9-19(2)16(20)15-8-7-14(21-15)11-5-6-12(17)13(18)10-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyIUMVOXUPOSJMHG-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.57
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-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
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide (CID 46082631) is N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide is CCCCN(C)C(=O)c1ccc(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is IUMVOXUPOSJMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NOS/c1-3-4-9-19(2)16(20)15-8-7-14(21-15)11-5-6-12(17)13(18)10-11/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide?
N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3,4-difluorophenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 46082631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).