2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide

C22H19N3O3S — CID 30558852

IUPAC2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)Nc1ccncc1
InChIInChI=1S/C22H19N3O3S/c26-22(24-18-10-12-23-13-11-18)15-25-14-21(19-8-4-5-9-20(19)25)29(27,28)16-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,23,24,26)
InChIKeyKWOBXIKYJXJJRU-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.65
Rot. Bonds6

About 2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide

2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide (PubChem CID 30558852) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
PubChem CID30558852
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)Nc1ccncc1
InChIInChI=1S/C22H19N3O3S/c26-22(24-18-10-12-23-13-11-18)15-25-14-21(19-8-4-5-9-20(19)25)29(27,28)16-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,23,24,26)
InChIKeyKWOBXIKYJXJJRU-UHFFFAOYSA-N
XLogP3.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
2-(3-benzylsulfonylindol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30558781
N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958485
2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 30558854
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 20911238
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
N-[4-(dimethylamino)phenyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911097
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 30559600
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide (CID 30558852) is 2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide is O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)Nc1ccncc1.
What is the InChIKey of 2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide?
The InChIKey is KWOBXIKYJXJJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-22(24-18-10-12-23-13-11-18)15-25-14-21(19-8-4-5-9-20(19)25)29(27,28)16-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,23,24,26).
What are the key properties of 2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide?
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide has a molecular weight of 405.48 g/mol, XLogP of 3.65, 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-pyridin-4-ylacetamide is sourced from PubChem (CID 30558852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).