N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide

C16H17FN2O2S — CID 167062663

IUPACN-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O2S/c1-10-4-9-13(22-10)14(20)19-16(2,3)15(21)18-12-7-5-11(17)6-8-12/h4-9H,1-3H3,(H,18,21)(H,19,20)
InChIKeyFGIQRTCTLATJDQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide

N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide (PubChem CID 167062663) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide
PubChem CID167062663
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O2S/c1-10-4-9-13(22-10)14(20)19-16(2,3)15(21)18-12-7-5-11(17)6-8-12/h4-9H,1-3H3,(H,18,21)(H,19,20)
InChIKeyFGIQRTCTLATJDQ-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-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

N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid
CID 68637770
5-bromo-N-[1-[4-(2,5-dimethyl-2,3-dihydropyrrol-1-yl)anilino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 143135405
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
N-(4-fluoro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 2550682
N-(2,5-difluorophenyl)-5-methylthiophene-2-carboxamide
CID 16583786
N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 50952323
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
N-(2-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 55169355
N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 107333812
N-(4-chloro-3-fluorophenyl)-2,2-dimethyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 165025075

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide (CID 167062663) is N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is FGIQRTCTLATJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-10-4-9-13(22-10)14(20)19-16(2,3)15(21)18-12-7-5-11(17)6-8-12/h4-9H,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide?
N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 167062663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).