N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide

C21H18N2OS — CID 4880396

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C21H18N2OS/c24-21(20-11-6-12-25-20)23-13-17(15-7-2-1-3-8-15)18-14-22-19-10-5-4-9-16(18)19/h1-12,14,17,22H,13H2,(H,23,24)
InChIKeyOHCDEUBPASYAPI-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.79
Rot. Bonds5

About N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide

N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide (PubChem CID 4880396) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
PubChem CID4880396
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C21H18N2OS/c24-21(20-11-6-12-25-20)23-13-17(15-7-2-1-3-8-15)18-14-22-19-10-5-4-9-16(18)19/h1-12,14,17,22H,13H2,(H,23,24)
InChIKeyOHCDEUBPASYAPI-UHFFFAOYSA-N
XLogP4.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
CID 35124002
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 24666522
N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60519954
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243574
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide (CID 4880396) is N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide is O=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1cccs1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide?
The InChIKey is OHCDEUBPASYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c24-21(20-11-6-12-25-20)23-13-17(15-7-2-1-3-8-15)18-14-22-19-10-5-4-9-16(18)19/h1-12,14,17,22H,13H2,(H,23,24).
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide?
N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4880396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).