2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C21H23N3O4S — CID 8594164

IUPAC2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)cc1
InChIInChI=1S/C21H23N3O4S/c1-15-4-7-18(8-5-15)13-22-20(25)14-23-10-11-24(21(23)26)29(27,28)19-9-6-16(2)17(3)12-19/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyLCNBUFGSALWGKL-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.13
Rot. Bonds6

About 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 8594164) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID8594164
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)cc1
InChIInChI=1S/C21H23N3O4S/c1-15-4-7-18(8-5-15)13-22-20(25)14-23-10-11-24(21(23)26)29(27,28)19-9-6-16(2)17(3)12-19/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyLCNBUFGSALWGKL-UHFFFAOYSA-N
XLogP2.13
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8594158
N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758132
(2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 9493647
(2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 9493650
2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6625783
N-[(3,4-dichlorophenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 127029044
1-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8594036
1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one
CID 8594078
N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164211
2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 100739658
N-[(4-methylphenyl)methyl]-2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide
CID 20903001
N-[(4-methylphenyl)methyl]-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 126458519

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 8594164) is 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)cc1.
What is the InChIKey of 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is LCNBUFGSALWGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15-4-7-18(8-5-15)13-22-20(25)14-23-10-11-24(21(23)26)29(27,28)19-9-6-16(2)17(3)12-19/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 8594164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).