N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C20H16N2O3S — CID 1088991

IUPACN-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C20H16N2O3S/c23-19(21-11-14-5-3-9-25-14)13-22-12-16(15-6-1-2-7-17(15)22)20(24)18-8-4-10-26-18/h1-10,12H,11,13H2,(H,21,23)
InChIKeyAKHRMYFKSMACQU-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.84
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 1088991) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID1088991
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C20H16N2O3S/c23-19(21-11-14-5-3-9-25-14)13-22-12-16(15-6-1-2-7-17(15)22)20(24)18-8-4-10-26-18/h1-10,12H,11,13H2,(H,21,23)
InChIKeyAKHRMYFKSMACQU-UHFFFAOYSA-N
XLogP3.84
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.84
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-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 1088991) is N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is AKHRMYFKSMACQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-19(21-11-14-5-3-9-25-14)13-22-12-16(15-6-1-2-7-17(15)22)20(24)18-8-4-10-26-18/h1-10,12H,11,13H2,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.84, 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-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 1088991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).