3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide

C16H16N2OS — CID 71840750

IUPAC3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc2cc[nH]c2c1)NCc1cccs1
InChIInChI=1S/C16H16N2OS/c19-16(18-11-14-2-1-9-20-14)6-4-12-3-5-13-7-8-17-15(13)10-12/h1-3,5,7-10,17H,4,6,11H2,(H,18,19)
InChIKeySPPYADCVJHYKHD-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.48
Rot. Bonds5

About 3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 71840750) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID71840750
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc2cc[nH]c2c1)NCc1cccs1
InChIInChI=1S/C16H16N2OS/c19-16(18-11-14-2-1-9-20-14)6-4-12-3-5-13-7-8-17-15(13)10-12/h1-3,5,7-10,17H,4,6,11H2,(H,18,19)
InChIKeySPPYADCVJHYKHD-UHFFFAOYSA-N
XLogP3.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide
CID 71840774
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444
3-(1H-indol-6-yl)propanoic acid
CID 23178857
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110791377
N-(1H-indol-6-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70779617
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 9112024
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 78806113
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 71840750) is 3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCc1ccc2cc[nH]c2c1)NCc1cccs1.
What is the InChIKey of 3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is SPPYADCVJHYKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-16(18-11-14-2-1-9-20-14)6-4-12-3-5-13-7-8-17-15(13)10-12/h1-3,5,7-10,17H,4,6,11H2,(H,18,19).
What are the key properties of 3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 284.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 71840750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).