N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

C18H19FN2O3S — CID 9455258

IUPACN-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccc(F)c(NC(=O)CCNC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C18H19FN2O3S/c1-12-4-5-13(19)14(11-12)21-18(24)8-9-20-17(23)7-6-15(22)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyOYSGTIJYMIUMCG-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.30
Rot. Bonds8

About N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 9455258) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID9455258
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccc(F)c(NC(=O)CCNC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C18H19FN2O3S/c1-12-4-5-13(19)14(11-12)21-18(24)8-9-20-17(23)7-6-15(22)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyOYSGTIJYMIUMCG-UHFFFAOYSA-N
XLogP3.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 2379110
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[(3-fluoro-4-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 34314674
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497031
N-[3-[[2-(3,4-difluorophenyl)acetyl]amino]propyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 167750645
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796400
4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide
CID 27782894
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499621
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 9455258) is N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide is Cc1ccc(F)c(NC(=O)CCNC(=O)CCC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is OYSGTIJYMIUMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-12-4-5-13(19)14(11-12)21-18(24)8-9-20-17(23)7-6-15(22)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 362.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 9455258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).