N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide

C14H15F3N2O4S — CID 166319070

IUPACN-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide
SMILESCC(NC(=O)CC(F)(F)F)C(=O)Nc1cccc2c1CCS2(=O)=O
InChIInChI=1S/C14H15F3N2O4S/c1-8(18-12(20)7-14(15,16)17)13(21)19-10-3-2-4-11-9(10)5-6-24(11,22)23/h2-4,8H,5-7H2,1H3,(H,18,20)(H,19,21)
InChIKeySVBSZOZSEOEOCP-UHFFFAOYSA-N
MW364.35 g/mol
LogP1.41
Rot. Bonds4

About N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide

N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide (PubChem CID 166319070) has the molecular formula C14H15F3N2O4S and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide
PubChem CID166319070
Molecular FormulaC14H15F3N2O4S
Molecular Weight364.35 g/mol
Exact Mass364.07
IUPAC NameN-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide
SMILESCC(NC(=O)CC(F)(F)F)C(=O)Nc1cccc2c1CCS2(=O)=O
InChIInChI=1S/C14H15F3N2O4S/c1-8(18-12(20)7-14(15,16)17)13(21)19-10-3-2-4-11-9(10)5-6-24(11,22)23/h2-4,8H,5-7H2,1H3,(H,18,20)(H,19,21)
InChIKeySVBSZOZSEOEOCP-UHFFFAOYSA-N
XLogP1.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide 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-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide (CID 166319070) is N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide is CC(NC(=O)CC(F)(F)F)C(=O)Nc1cccc2c1CCS2(=O)=O.
What is the InChIKey of N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide?
The InChIKey is SVBSZOZSEOEOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4S/c1-8(18-12(20)7-14(15,16)17)13(21)19-10-3-2-4-11-9(10)5-6-24(11,22)23/h2-4,8H,5-7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide?
N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide has a molecular weight of 364.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 166319070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).