3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide

C27H26N4O3S — CID 46512935

IUPAC3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C27H26N4O3S/c1-19-17-21-11-6-7-14-24(21)31(19)35(33,34)23-13-8-12-22(18-23)27(32)29-25(20-9-4-3-5-10-20)26-28-15-16-30(26)2/h3-16,18-19,25H,17H2,1-2H3,(H,29,32)
InChIKeyUKAAKTDZGPZRJA-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.08
Rot. Bonds6

About 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 46512935) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID46512935
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C27H26N4O3S/c1-19-17-21-11-6-7-14-24(21)31(19)35(33,34)23-13-8-12-22(18-23)27(32)29-25(20-9-4-3-5-10-20)26-28-15-16-30(26)2/h3-16,18-19,25H,17H2,1-2H3,(H,29,32)
InChIKeyUKAAKTDZGPZRJA-UHFFFAOYSA-N
XLogP4.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 6596823
N-(1-hydroxybutan-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 2997709
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 41074519
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 98487422
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 41071883
3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 55461455
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 112845926
N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 41041573
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 25334099
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide
CID 4175707
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4524824

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (CID 46512935) is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2nccn2C)c1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is UKAAKTDZGPZRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-19-17-21-11-6-7-14-24(21)31(19)35(33,34)23-13-8-12-22(18-23)27(32)29-25(20-9-4-3-5-10-20)26-28-15-16-30(26)2/h3-16,18-19,25H,17H2,1-2H3,(H,29,32).
What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 486.60 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 46512935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).