N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide

C14H15F3N4O4S — CID 166401129

IUPACN-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide
SMILESCC(NC(=O)CC(F)(F)F)C(=O)NCC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C14H15F3N4O4S/c1-8(19-12(22)6-14(15,16)17)13(23)18-7-11-20-9-4-2-3-5-10(9)26(24,25)21-11/h2-5,8H,6-7H2,1H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyGENLSYVZXAYQME-UHFFFAOYSA-N
MW392.36 g/mol
LogP0.77
Rot. Bonds5

About N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide

N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide (PubChem CID 166401129) has the molecular formula C14H15F3N4O4S and a molecular weight of 392.36 g/mol. Its IUPAC name is N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide
PubChem CID166401129
Molecular FormulaC14H15F3N4O4S
Molecular Weight392.36 g/mol
Exact Mass392.08
IUPAC NameN-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide
SMILESCC(NC(=O)CC(F)(F)F)C(=O)NCC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C14H15F3N4O4S/c1-8(19-12(22)6-14(15,16)17)13(23)18-7-11-20-9-4-2-3-5-10(9)26(24,25)21-11/h2-5,8H,6-7H2,1H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyGENLSYVZXAYQME-UHFFFAOYSA-N
XLogP0.77
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 46274970
N-(2-acetamidoethyl)-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3-methylbutanamide
CID 22588942
1-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]urea
CID 167856395
N-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)amino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide
CID 166319070
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]urea
CID 166365022
3-(chloromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 4132234
3-[1,1-dioxo-6-(trifluoromethyl)-4H-1λ6,2,4-benzothiadiazin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 46369350
2-[1-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2135211
4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-phenylethyl)butanamide
CID 126479089
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanamide
CID 50815505
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 46279820
4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 24733947

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide (CID 166401129) is N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide is CC(NC(=O)CC(F)(F)F)C(=O)NCC1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide?
The InChIKey is GENLSYVZXAYQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O4S/c1-8(19-12(22)6-14(15,16)17)13(23)18-7-11-20-9-4-2-3-5-10(9)26(24,25)21-11/h2-5,8H,6-7H2,1H3,(H,18,23)(H,19,22)(H,20,21).
What are the key properties of N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide?
N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide has a molecular weight of 392.36 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 166401129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).