N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

C18H20FN3O3S — CID 50952323

IUPACN-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)NCCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3S/c1-18(2,22-16(24)14-4-3-11-26-14)17(25)20-10-9-15(23)21-13-7-5-12(19)6-8-13/h3-8,11H,9-10H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyYOHGEVYLRLUPFG-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.54
Rot. Bonds7

About N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 50952323) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID50952323
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)NCCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3S/c1-18(2,22-16(24)14-4-3-11-26-14)17(25)20-10-9-15(23)21-13-7-5-12(19)6-8-13/h3-8,11H,9-10H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyYOHGEVYLRLUPFG-UHFFFAOYSA-N
XLogP2.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 50952323) is N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(C)(NC(=O)c1cccs1)C(=O)NCCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is YOHGEVYLRLUPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-18(2,22-16(24)14-4-3-11-26-14)17(25)20-10-9-15(23)21-13-7-5-12(19)6-8-13/h3-8,11H,9-10H2,1-2H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 50952323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).