N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide

C20H18N4O3S — CID 155518159

IUPACN-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c(C)[nH]1
InChIInChI=1S/C20H18N4O3S/c1-13-19(23-20(21-13)22-14(2)25)17-12-24(18-11-7-6-10-16(17)18)28(26,27)15-8-4-3-5-9-15/h3-12H,1-2H3,(H2,21,22,23,25)
InChIKeyJTWXYDJVWZMWOP-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.54
Rot. Bonds4

About N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide

N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide (PubChem CID 155518159) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
PubChem CID155518159
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c(C)[nH]1
InChIInChI=1S/C20H18N4O3S/c1-13-19(23-20(21-13)22-14(2)25)17-12-24(18-11-7-6-10-16(17)18)28(26,27)15-8-4-3-5-9-15/h3-12H,1-2H3,(H2,21,22,23,25)
InChIKeyJTWXYDJVWZMWOP-UHFFFAOYSA-N
XLogP3.54
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide (CID 155518159) is N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c(C)[nH]1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
The InChIKey is JTWXYDJVWZMWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-13-19(23-20(21-13)22-14(2)25)17-12-24(18-11-7-6-10-16(17)18)28(26,27)15-8-4-3-5-9-15/h3-12H,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide has a molecular weight of 394.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 155518159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).