2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide

C18H18N4OS2 — CID 46820366

IUPAC2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C18H18N4OS2/c23-17(12-22-16-8-2-1-7-15(16)20-21-22)19-14-6-3-5-13(11-14)18-24-9-4-10-25-18/h1-3,5-8,11,18H,4,9-10,12H2,(H,19,23)
InChIKeyMMGABFBGYMCCID-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.94
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide (PubChem CID 46820366) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
PubChem CID46820366
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C18H18N4OS2/c23-17(12-22-16-8-2-1-7-15(16)20-21-22)19-14-6-3-5-13(11-14)18-24-9-4-10-25-18/h1-3,5-8,11,18H,4,9-10,12H2,(H,19,23)
InChIKeyMMGABFBGYMCCID-UHFFFAOYSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 38797742
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24657521
2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 162786952
N-[3-[(2R,4S)-4-acetamidooxan-2-yl]phenyl]-2-(benzotriazol-1-yl)acetamide
CID 110129816
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide
CID 35368286
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
2-(benzotriazol-1-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 17452731
2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 78811101
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide (CID 46820366) is 2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide is O=C(Cn1nnc2ccccc21)Nc1cccc(C2SCCCS2)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The InChIKey is MMGABFBGYMCCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c23-17(12-22-16-8-2-1-7-15(16)20-21-22)19-14-6-3-5-13(11-14)18-24-9-4-10-25-18/h1-3,5-8,11,18H,4,9-10,12H2,(H,19,23).
What are the key properties of 2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide is sourced from PubChem (CID 46820366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).