2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C23H20ClN3O3S — CID 30561057

IUPAC2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)NCc1ccccn1
InChIInChI=1S/C23H20ClN3O3S/c24-18-10-8-17(9-11-18)16-31(29,30)22-14-27(21-7-2-1-6-20(21)22)15-23(28)26-13-19-5-3-4-12-25-19/h1-12,14H,13,15-16H2,(H,26,28)
InChIKeyIBUBCHYLBWHHND-UHFFFAOYSA-N
MW453.95 g/mol
LogP3.98
Rot. Bonds7

About 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 30561057) has the molecular formula C23H20ClN3O3S and a molecular weight of 453.95 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID30561057
Molecular FormulaC23H20ClN3O3S
Molecular Weight453.95 g/mol
Exact Mass453.09
IUPAC Name2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)NCc1ccccn1
InChIInChI=1S/C23H20ClN3O3S/c24-18-10-8-17(9-11-18)16-31(29,30)22-14-27(21-7-2-1-6-20(21)22)15-23(28)26-13-19-5-3-4-12-25-19/h1-12,14H,13,15-16H2,(H,26,28)
InChIKeyIBUBCHYLBWHHND-UHFFFAOYSA-N
XLogP3.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 18573430
N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958485
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30561207
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30292022
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30560690
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
N-butyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559422
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 20911196

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 30561057) is 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)NCc1ccccn1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is IBUBCHYLBWHHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S/c24-18-10-8-17(9-11-18)16-31(29,30)22-14-27(21-7-2-1-6-20(21)22)15-23(28)26-13-19-5-3-4-12-25-19/h1-12,14H,13,15-16H2,(H,26,28).
What are the key properties of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 453.95 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 30561057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).