3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine

C19H24FN3O2S — CID 16657022

IUPAC3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1cccc(F)c1)N1c2ccccc2N(C(C)C)S1(=O)=O
InChIInChI=1S/C19H24FN3O2S/c1-14(2)22-18-9-4-5-10-19(18)23(26(22,24)25)17(11-12-21-3)15-7-6-8-16(20)13-15/h4-10,13-14,17,21H,11-12H2,1-3H3
InChIKeyNRACQAXLKJANGJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.46
Rot. Bonds6

About 3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine

3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 16657022) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID16657022
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1cccc(F)c1)N1c2ccccc2N(C(C)C)S1(=O)=O
InChIInChI=1S/C19H24FN3O2S/c1-14(2)22-18-9-4-5-10-19(18)23(26(22,24)25)17(11-12-21-3)15-7-6-8-16(20)13-15/h4-10,13-14,17,21H,11-12H2,1-3H3
InChIKeyNRACQAXLKJANGJ-UHFFFAOYSA-N
XLogP3.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine (CID 16657022) is 3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine is CNCCC(c1cccc(F)c1)N1c2ccccc2N(C(C)C)S1(=O)=O.
What is the InChIKey of 3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is NRACQAXLKJANGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-14(2)22-18-9-4-5-10-19(18)23(26(22,24)25)17(11-12-21-3)15-7-6-8-16(20)13-15/h4-10,13-14,17,21H,11-12H2,1-3H3.
What are the key properties of 3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 377.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dioxo-1-propan-2-yl-2λ6,1,3-benzothiadiazol-3-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 16657022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).