N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C15H19N3O3S — CID 84599696

IUPACN-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCc1cnc(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)[nH]1
InChIInChI=1S/C15H19N3O3S/c1-10(2)22(20,21)13-6-4-12(5-7-13)8-14(19)18-15-16-9-11(3)17-15/h4-7,9-10H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyBIFQTLQNZPAEKO-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.08
Rot. Bonds5

About N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 84599696) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID84599696
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCc1cnc(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)[nH]1
InChIInChI=1S/C15H19N3O3S/c1-10(2)22(20,21)13-6-4-12(5-7-13)8-14(19)18-15-16-9-11(3)17-15/h4-7,9-10H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyBIFQTLQNZPAEKO-UHFFFAOYSA-N
XLogP2.08
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122300477
3-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528412
5-methyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]benzoic acid
CID 120537846
2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid
CID 120537294
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435
N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771426
N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838342
propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate
CID 82550592
2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974889

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 84599696) is N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is Cc1cnc(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)[nH]1.
What is the InChIKey of N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is BIFQTLQNZPAEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10(2)22(20,21)13-6-4-12(5-7-13)8-14(19)18-15-16-9-11(3)17-15/h4-7,9-10H,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 84599696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).