N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

C19H21N3O4S — CID 20918787

IUPACN-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccco1
InChIInChI=1S/C19H21N3O4S/c23-19(20-13-16-4-3-11-26-16)14-21-10-7-15-12-17(5-6-18(15)21)27(24,25)22-8-1-2-9-22/h3-7,10-12H,1-2,8-9,13-14H2,(H,20,23)
InChIKeyGZWDIFYWSCRYFA-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.34
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 20918787) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID20918787
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccco1
InChIInChI=1S/C19H21N3O4S/c23-19(20-13-16-4-3-11-26-16)14-21-10-7-15-12-17(5-6-18(15)21)27(24,25)22-8-1-2-9-22/h3-7,10-12H,1-2,8-9,13-14H2,(H,20,23)
InChIKeyGZWDIFYWSCRYFA-UHFFFAOYSA-N
XLogP2.34
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (CID 20918787) is N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is GZWDIFYWSCRYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-19(20-13-16-4-3-11-26-16)14-21-10-7-15-12-17(5-6-18(15)21)27(24,25)22-8-1-2-9-22/h3-7,10-12H,1-2,8-9,13-14H2,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 20918787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).