2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide

C17H17N3O3S — CID 71883645

IUPAC2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc(S(C)(=O)=O)nc2)c2ccccc21
InChIInChI=1S/C17H17N3O3S/c1-20-11-12(14-5-3-4-6-15(14)20)9-16(21)19-13-7-8-17(18-10-13)24(2,22)23/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyJSKCWTDGYHNYRD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.16
Rot. Bonds4

About 2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide

2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide (PubChem CID 71883645) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
PubChem CID71883645
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc(S(C)(=O)=O)nc2)c2ccccc21
InChIInChI=1S/C17H17N3O3S/c1-20-11-12(14-5-3-4-6-15(14)20)9-16(21)19-13-7-8-17(18-10-13)24(2,22)23/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyJSKCWTDGYHNYRD-UHFFFAOYSA-N
XLogP2.16
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide
CID 47078833
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide
CID 122300536
N-(5-chloro-2-pyridinyl)-2-(1-methylindol-3-yl)acetamide
CID 4568690
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691
2-(1-methylindol-3-yl)-N-quinolin-5-ylacetamide
CID 51055371
2-(1-methylindol-3-yl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317256
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
CID 90603505
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
CID 166629500
N-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-2-(1-methylindol-3-yl)acetamide
CID 155910308

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide (CID 71883645) is 2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide is Cn1cc(CC(=O)Nc2ccc(S(C)(=O)=O)nc2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
The InChIKey is JSKCWTDGYHNYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20-11-12(14-5-3-4-6-15(14)20)9-16(21)19-13-7-8-17(18-10-13)24(2,22)23/h3-8,10-11H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide is sourced from PubChem (CID 71883645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).