N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide

C22H22N2O2S — CID 18577703

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(c2cccs2)N2CCc3ccccc32)c1
InChIInChI=1S/C22H22N2O2S/c1-26-18-8-4-7-17(14-18)22(25)23-15-20(21-10-5-13-27-21)24-12-11-16-6-2-3-9-19(16)24/h2-10,13-14,20H,11-12,15H2,1H3,(H,23,25)
InChIKeyCYHNHIXLALJCGX-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.29
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide

N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide (PubChem CID 18577703) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide
PubChem CID18577703
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(c2cccs2)N2CCc3ccccc32)c1
InChIInChI=1S/C22H22N2O2S/c1-26-18-8-4-7-17(14-18)22(25)23-15-20(21-10-5-13-27-21)24-12-11-16-6-2-3-9-19(16)24/h2-10,13-14,20H,11-12,15H2,1H3,(H,23,25)
InChIKeyCYHNHIXLALJCGX-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide (CID 18577703) is N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(c2cccs2)N2CCc3ccccc32)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide?
The InChIKey is CYHNHIXLALJCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-26-18-8-4-7-17(14-18)22(25)23-15-20(21-10-5-13-27-21)24-12-11-16-6-2-3-9-19(16)24/h2-10,13-14,20H,11-12,15H2,1H3,(H,23,25).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide?
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide has a molecular weight of 378.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide is sourced from PubChem (CID 18577703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).