N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide

C16H18ClN3O3S — CID 167882561

IUPACN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O3S/c17-14-4-2-1-3-13(14)10-20-7-6-18-16(20)19-15(21)9-12-5-8-24(22,23)11-12/h1-4,6-7,12H,5,8-11H2,(H,18,19,21)
InChIKeyLYLFZBMOZUTHKL-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.35
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide

N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 167882561) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID167882561
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O3S/c17-14-4-2-1-3-13(14)10-20-7-6-18-16(20)19-15(21)9-12-5-8-24(22,23)11-12/h1-4,6-7,12H,5,8-11H2,(H,18,19,21)
InChIKeyLYLFZBMOZUTHKL-UHFFFAOYSA-N
XLogP2.35
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
CID 71931046
3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
CID 119789659
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015849
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 56791413
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 90100839
N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408989
N-(1-benzylpyrazol-4-yl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 97016106
N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95981194
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 86958161
2-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 86907941
N'-(2-chlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842103
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 40588060

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide (CID 167882561) is N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide is O=C(CC1CCS(=O)(=O)C1)Nc1nccn1Cc1ccccc1Cl.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is LYLFZBMOZUTHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c17-14-4-2-1-3-13(14)10-20-7-6-18-16(20)19-15(21)9-12-5-8-24(22,23)11-12/h1-4,6-7,12H,5,8-11H2,(H,18,19,21).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide?
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 367.86 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 167882561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).