2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide

C23H21N3O3S — CID 30558854

IUPAC2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C23H21N3O3S/c1-17-11-12-24-22(13-17)25-23(27)15-26-14-21(19-9-5-6-10-20(19)26)30(28,29)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25,27)
InChIKeySDJDWHKGEYRTAP-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.96
Rot. Bonds6

About 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide

2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 30558854) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID30558854
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C23H21N3O3S/c1-17-11-12-24-22(13-17)25-23(27)15-26-14-21(19-9-5-6-10-20(19)26)30(28,29)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25,27)
InChIKeySDJDWHKGEYRTAP-UHFFFAOYSA-N
XLogP3.96
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide 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

2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 18573430
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292518
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30292022
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292566
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide (CID 30558854) is 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1.
What is the InChIKey of 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is SDJDWHKGEYRTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-17-11-12-24-22(13-17)25-23(27)15-26-14-21(19-9-5-6-10-20(19)26)30(28,29)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25,27).
What are the key properties of 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide?
2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 30558854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).