N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide

C20H22N2O2S — CID 7217402

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1(c2cccs2)CCOCC1
InChIInChI=1S/C20H22N2O2S/c23-19(20(8-11-24-12-9-20)18-6-3-13-25-18)21-10-7-15-14-22-17-5-2-1-4-16(15)17/h1-6,13-14,22H,7-12H2,(H,21,23)
InChIKeyUOKNYIUQWQPOJV-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.64
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7217402) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7217402
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1(c2cccs2)CCOCC1
InChIInChI=1S/C20H22N2O2S/c23-19(20(8-11-24-12-9-20)18-6-3-13-25-18)21-10-7-15-14-22-17-5-2-1-4-16(15)17/h1-6,13-14,22H,7-12H2,(H,21,23)
InChIKeyUOKNYIUQWQPOJV-UHFFFAOYSA-N
XLogP3.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502561
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 110438229
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 71692234
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 71885829
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 110438172

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide (CID 7217402) is N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is UOKNYIUQWQPOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-19(20(8-11-24-12-9-20)18-6-3-13-25-18)21-10-7-15-14-22-17-5-2-1-4-16(15)17/h1-6,13-14,22H,7-12H2,(H,21,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7217402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).