2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

C18H18FN3O3S — CID 126854787

IUPAC2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c19-14-7-5-13(6-8-14)11-20-18(23)12-21-16-3-1-2-4-17(16)22(15-9-10-15)26(21,24)25/h1-8,15H,9-12H2,(H,20,23)
InChIKeyBVCDDXOESWZVOT-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.18
Rot. Bonds5

About 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 126854787) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID126854787
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c19-14-7-5-13(6-8-14)11-20-18(23)12-21-16-3-1-2-4-17(16)22(15-9-10-15)26(21,24)25/h1-8,15H,9-12H2,(H,20,23)
InChIKeyBVCDDXOESWZVOT-UHFFFAOYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 87022462
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
N-[(4-fluorophenyl)methyl]-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 50793188
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[(4-fluorophenyl)methyl]-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923412
(3S,4S)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953717
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60510944
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 126854787) is 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is BVCDDXOESWZVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c19-14-7-5-13(6-8-14)11-20-18(23)12-21-16-3-1-2-4-17(16)22(15-9-10-15)26(21,24)25/h1-8,15H,9-12H2,(H,20,23).
What are the key properties of 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 126854787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).