N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

C21H23N3O3S — CID 20918781

IUPACN-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1
InChIInChI=1S/C21H23N3O3S/c25-21(22-15-17-6-2-1-3-7-17)16-23-13-10-18-14-19(8-9-20(18)23)28(26,27)24-11-4-5-12-24/h1-3,6-10,13-14H,4-5,11-12,15-16H2,(H,22,25)
InChIKeyDKCBRLYQGKAHGO-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.74
Rot. Bonds6

About N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 20918781) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID20918781
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1
InChIInChI=1S/C21H23N3O3S/c25-21(22-15-17-6-2-1-3-7-17)16-23-13-10-18-14-19(8-9-20(18)23)28(26,27)24-11-4-5-12-24/h1-3,6-10,13-14H,4-5,11-12,15-16H2,(H,22,25)
InChIKeyDKCBRLYQGKAHGO-UHFFFAOYSA-N
XLogP2.74
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (CID 20918781) is N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is DKCBRLYQGKAHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-21(22-15-17-6-2-1-3-7-17)16-23-13-10-18-14-19(8-9-20(18)23)28(26,27)24-11-4-5-12-24/h1-3,6-10,13-14H,4-5,11-12,15-16H2,(H,22,25).
What are the key properties of N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 20918781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).