N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide

C15H15FN2O3S — CID 9207791

IUPACN-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)sc1C
InChIInChI=1S/C15H15FN2O3S/c1-3-4-10-7-14(22-9(10)2)15(19)17-11-5-6-12(16)13(8-11)18(20)21/h5-8H,3-4H2,1-2H3,(H,17,19)
InChIKeyQWYFOJJEKXMUDJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.31
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide

N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 9207791) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID9207791
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC NameN-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)sc1C
InChIInChI=1S/C15H15FN2O3S/c1-3-4-10-7-14(22-9(10)2)15(19)17-11-5-6-12(16)13(8-11)18(20)21/h5-8H,3-4H2,1-2H3,(H,17,19)
InChIKeyQWYFOJJEKXMUDJ-UHFFFAOYSA-N
XLogP4.31
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 7959725
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 134059555
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
N-(2,4-difluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9209398
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
4-fluoro-3-nitro-N-(4-propylphenyl)benzamide
CID 8732756
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid
CID 103791536
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 4828452

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide (CID 9207791) is N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)sc1C.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is QWYFOJJEKXMUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-3-4-10-7-14(22-9(10)2)15(19)17-11-5-6-12(16)13(8-11)18(20)21/h5-8H,3-4H2,1-2H3,(H,17,19).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide?
N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 9207791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).