2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide

C23H21N3O4S — CID 52906419

IUPAC2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)cc1
InChIInChI=1S/C23H21N3O4S/c1-31(29,30)20-9-7-19(8-10-20)24-21(27)16-26-14-12-18-11-13-25(22(18)23(26)28)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyAGMQXVFTDSVRBC-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.89
Rot. Bonds6

About 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide

2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 52906419) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID52906419
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)cc1
InChIInChI=1S/C23H21N3O4S/c1-31(29,30)20-9-7-19(8-10-20)24-21(27)16-26-14-12-18-11-13-25(22(18)23(26)28)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyAGMQXVFTDSVRBC-UHFFFAOYSA-N
XLogP2.89
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide (CID 52906419) is 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)cc1.
What is the InChIKey of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is AGMQXVFTDSVRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-31(29,30)20-9-7-19(8-10-20)24-21(27)16-26-14-12-18-11-13-25(22(18)23(26)28)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,27).
What are the key properties of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide?
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 435.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 52906419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).